2-Pyrrolidinecarboxamide,N-(4-methoxy-2-naphthalenyl)-5-oxo-,(S)-(9ci)

CAS

94102-66-6

Catalog Number

ACM94102666

Category

Other Products

Molecular Weight

284.32

Molecular Formula

C₁₆H₁₆N₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

AC1OCUTN, CTK8G0657, AG-H-86871, L-Pyroglutamic acid 4-methoxy-beta-naphthylamide, (2S)-N-(4-methoxynaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide, 94102-66-6

IUPAC Name

(2S)-N-(4-methoxynaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide

Canonical SMILES

COC1=CC(=CC2=CC=CC=C21)NC(=O)C3CCC(=O)N3

InChI Key

KUOSNZTWNCPQEW-ZDUSSCGKSA-N

Exact Mass

284.11600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula is C16H16N2O3.

What is the molecular weight of the compound?

The molecular weight is 284.31 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (2S)-N-(4-methoxynaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H16N2O3/c1-21-14-9-11(8-10-4-2-3-5-12(10)14)17-16(20)13-6-7-15(19)18-13/h2-5,8-9,13H,6-7H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1.

What is the InChIKey of the compound?

The InChIKey is KUOSNZTWNCPQEW-ZDUSSCGKSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC(=CC2=CC=CC=C21)NC(=O)C3CCC(=O)N3.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 67.4 ?2.

Is the compound canonicalized?

Yes, the compound is canonicalized.