N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

C18H27N3O2 — CID 119586792

IUPACN-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)8-16(10-19)20-18(23)15-9-17(22)21(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)
InChIKeyJMOVLJUNNZFHIR-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.52
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119586792) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119586792
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)8-16(10-19)20-18(23)15-9-17(22)21(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23)
InChIKeyJMOVLJUNNZFHIR-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119588786
N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119585380
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585379
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586
N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119598604
N-(1-amino-4-methylpentan-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119588084
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide (CID 119586792) is N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is CC(C)CC(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JMOVLJUNNZFHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)8-16(10-19)20-18(23)15-9-17(22)21(12-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3,(H,20,23).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119586792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).