2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H31N3O2 — CID 52678828

IUPAC2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(CC1CCCCC1)C1CC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H31N3O2/c26-21(16-24(18-12-13-18)15-17-7-2-1-3-8-17)23-19-9-4-5-10-20(19)25-14-6-11-22(25)27/h4-5,9-10,17-18H,1-3,6-8,11-16H2,(H,23,26)
InChIKeyXTSOAQZKCSLGHR-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.80
Rot. Bonds7

About 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 52678828) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID52678828
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(CC1CCCCC1)C1CC1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C22H31N3O2/c26-21(16-24(18-12-13-18)15-17-7-2-1-3-8-17)23-19-9-4-5-10-20(19)25-14-6-11-22(25)27/h4-5,9-10,17-18H,1-3,6-8,11-16H2,(H,23,26)
InChIKeyXTSOAQZKCSLGHR-UHFFFAOYSA-N
XLogP3.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
2-[cyclopropyl-(4-methylcyclohexyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55827499
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17418944
2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
2-cyclopent-2-en-1-yl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 18166613
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41359869
1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909357
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 52678828) is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN(CC1CCCCC1)C1CC1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XTSOAQZKCSLGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(16-24(18-12-13-18)15-17-7-2-1-3-8-17)23-19-9-4-5-10-20(19)25-14-6-11-22(25)27/h4-5,9-10,17-18H,1-3,6-8,11-16H2,(H,23,26).
What are the key properties of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 52678828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).