3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride

C20H24ClN3O2 — CID 119694486

IUPAC3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2.ClH/c21-13-18(16-5-2-1-3-6-16)20(25)22-14-15-8-10-17(11-9-15)23-12-4-7-19(23)24;/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,25);1H
InChIKeyVEBXKELZMUZSPZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.59
Rot. Bonds6

About 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride

3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 119694486) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
PubChem CID119694486
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2.ClH/c21-13-18(16-5-2-1-3-6-16)20(25)22-14-15-8-10-17(11-9-15)23-12-4-7-19(23)24;/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,25);1H
InChIKeyVEBXKELZMUZSPZ-UHFFFAOYSA-N
XLogP2.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
CID 25480897
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylpropyl)guanidine
CID 111342361
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51239198
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride (CID 119694486) is 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride is Cl.NCC(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is VEBXKELZMUZSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-13-18(16-5-2-1-3-6-16)20(25)22-14-15-8-10-17(11-9-15)23-12-4-7-19(23)24;/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,25);1H.
What are the key properties of 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride?
3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).