CAS
902837-23-4 Purity
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902837-23-4 Purity
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N-Propyl-4-[(3S)-pyrrolidinyloxy]benzamide
CAS
1212151-59-1
Catalog Number
ACM1212151591
Category
Other Products
Molecular Weight
248.33
Molecular Formula
C14H20N2O2
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Specification
Synonyms
AC1Q2Y0H, CTK8E7925, N-Propyl-4-[(3S)-Pyrrolidin-3-Yl-Oxy]Benzamide, 1212151-59-1
IUPAC Name
N-propyl-4-[(3S)-pyrrolidin-3-yl]oxybenzamide
Canonical SMILES
CCCNC(=O)C1=CC=C(C=C1)OC2CCNC2
InChI Key
HSRLHUMODGJSCO-ZDUSSCGKSA-N
Exact Mass
248.15200
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C14H20N2O2.
When was the compound first created?
The compound was first created on May 30, 2009.
What is the molecular weight of the compound?
The molecular weight of the compound is 248.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-propyl-4-[(3S)-pyrrolidin-3-yl]oxybenzamide.
What is the InChI key of the compound?
The InChI key of the compound is HSRLHUMODGJSCO-ZDUSSCGKSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.8.
How many topological polar surface areas are there in the compound?
The compound has a topological polar surface area of 50.4 Ų.
Does the compound have any defined atom stereocenter counts?
The compound has 1 defined atom stereocenter count.
Is the compound's formal charge zero?
Yes, the formal charge of the compound is 0.
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