2-(3,3-Diphenylpropylamino)-N,N-diphenylacetamide hydrochloride

CAS

928313-94-4

Catalog Number

ACM928313944

Category

Other Products

Molecular Weight

304.814440 [g/mol]

Molecular Formula

C₂₉H₂₈N₂O.HCl

MSDS COA Spec Sheet

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Specification

Synonyms

N20C hydrochloride, 2-[(3,3-DIPHENYLPROPYL)AMINO]ACETAMIDE HYDROCHLORIDE, 76991-05-4, SCHEMBL5311014, CHEMBL1554438, CTK8G1476, MolPort-022-863-710, AKOS024456990, NCGC00015378-02, NCGC00092339-01, 1177583-87-7, 928313-94-4

IUPAC Name

2-(3,3-diphenylpropylamino)acetamide;hydrochloride

Canonical SMILES

C1=CC=C(C=C1)C(CCNCC(=O)N)C2=CC=CC=C2.Cl

InChI Key

JCJDLPUASJEVRN-UHFFFAOYSA-N

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C29H29ClN2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 457.0 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3,3-diphenylpropylamino)-N,N-diphenylacetamide hydrochloride.

What is the InChI code of the compound?

The InChI code of the compound is "InChI=1S/C29H28N2O.ClH/c32-29(31(26-17-9-3-10-18-26)27-19-11-4-12-20-27)23-30-22-21-28(24-13-5-1-6-14-24)25-15-7-2-8-16-25;/h1-20,28,30H,21-23H2;1H".

What is the InChIKey of the compound?

The InChIKey of the compound is "ZPXKZTFECIUDRQ-UHFFFAOYSA-N".

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is "C1=CC=C(C=C1)C(CCNCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl".

How many hydrogen bond donor atoms does the compound have?

The compound has 2 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms does the compound have?

The compound has 2 hydrogen bond acceptor atoms.

How many rotatable bonds does the compound have?

The compound has 9 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.