(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C17H22N2O3 — CID 136586418

IUPAC(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C2(CNC(=O)[C@H]3CCC(=O)N3C)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-19-14(6-7-15(19)20)16(21)18-11-17(8-9-17)12-4-3-5-13(10-12)22-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyMGDFJQHLFWKWCQ-CQSZACIVSA-N
MW302.37 g/mol
LogP1.46
Rot. Bonds5

About (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 136586418) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID136586418
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C2(CNC(=O)[C@H]3CCC(=O)N3C)CC2)c1
InChIInChI=1S/C17H22N2O3/c1-19-14(6-7-15(19)20)16(21)18-11-17(8-9-17)12-4-3-5-13(10-12)22-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyMGDFJQHLFWKWCQ-CQSZACIVSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-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

4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
CID 166317726
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 139004180
4-[[[1-(3-methoxyphenyl)cyclopropyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014637
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
CID 120592015
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97150495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 136586418) is (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is COc1cccc(C2(CNC(=O)[C@H]3CCC(=O)N3C)CC2)c1.
What is the InChIKey of (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MGDFJQHLFWKWCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-14(6-7-15(19)20)16(21)18-11-17(8-9-17)12-4-3-5-13(10-12)22-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 136586418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).