(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 124833954

IUPAC(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)c1C
InChIInChI=1S/C20H28N2O2/c1-13-8-6-10-18(15(13)3)22-12-16(11-19(22)23)20(24)21-17-9-5-4-7-14(17)2/h6,8,10,14,16-17H,4-5,7,9,11-12H2,1-3H3,(H,21,24)/t14-,16-,17-/m1/s1
InChIKeyPQYCHIQJWDZOFS-DJIMGWMZSA-N
MW328.46 g/mol
LogP3.35
Rot. Bonds3

About (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124833954) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124833954
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)c1C
InChIInChI=1S/C20H28N2O2/c1-13-8-6-10-18(15(13)3)22-12-16(11-19(22)23)20(24)21-17-9-5-4-7-14(17)2/h6,8,10,14,16-17H,4-5,7,9,11-12H2,1-3H3,(H,21,24)/t14-,16-,17-/m1/s1
InChIKeyPQYCHIQJWDZOFS-DJIMGWMZSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120573725
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672365
(3R)-N-[(1S,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672364
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55717401
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51876272

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide (CID 124833954) is (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)c1C.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PQYCHIQJWDZOFS-DJIMGWMZSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-8-6-10-18(15(13)3)22-12-16(11-19(22)23)20(24)21-17-9-5-4-7-14(17)2/h6,8,10,14,16-17H,4-5,7,9,11-12H2,1-3H3,(H,21,24)/t14-,16-,17-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).