(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide

C21H31N3O2 — CID 125443802

IUPAC(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)NCC2(c3cc(C)cc(C)c3)CCCC2)C1
InChIInChI=1S/C21H31N3O2/c1-15-10-16(2)12-18(11-15)21(7-4-5-8-21)14-22-20(26)24-9-6-19(13-24)23-17(3)25/h10-12,19H,4-9,13-14H2,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyMJNWHLVRMRDBSG-LJQANCHMSA-N
MW357.50 g/mol
LogP3.04
Rot. Bonds4

About (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide

(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 125443802) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
PubChem CID125443802
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)NCC2(c3cc(C)cc(C)c3)CCCC2)C1
InChIInChI=1S/C21H31N3O2/c1-15-10-16(2)12-18(11-15)21(7-4-5-8-21)14-22-20(26)24-9-6-19(13-24)23-17(3)25/h10-12,19H,4-9,13-14H2,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyMJNWHLVRMRDBSG-LJQANCHMSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-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

ethyl N-[1-[(1-phenylcyclopentyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 78886586
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122015594
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]urea
CID 139010914
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 113402026

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide (CID 125443802) is (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide is CC(=O)N[C@@H]1CCN(C(=O)NCC2(c3cc(C)cc(C)c3)CCCC2)C1.
What is the InChIKey of (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is MJNWHLVRMRDBSG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-10-16(2)12-18(11-15)21(7-4-5-8-21)14-22-20(26)24-9-6-19(13-24)23-17(3)25/h10-12,19H,4-9,13-14H2,1-3H3,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide?
(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125443802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).