(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H26N2O2 — CID 92719871

IUPAC(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(N2C(=O)CC[C@@]2(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C19H26N2O2/c1-13-7-6-10-16(14(13)2)21-17(22)11-12-19(21,3)18(23)20-15-8-4-5-9-15/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyDOCDUBZUAIJMLO-IBGZPJMESA-N
MW314.43 g/mol
LogP3.25
Rot. Bonds3

About (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92719871) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92719871
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(N2C(=O)CC[C@@]2(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C19H26N2O2/c1-13-7-6-10-16(14(13)2)21-17(22)11-12-19(21,3)18(23)20-15-8-4-5-9-15/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3,(H,20,23)/t19-/m0/s1
InChIKeyDOCDUBZUAIJMLO-IBGZPJMESA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705670
(2S)-4-(benzenesulfonyl)-N-cycloheptyl-1-(2,3-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 92705712
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
(2S)-N-cyclopentyl-1-(3-ethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734230
(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719895
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337
(3R)-N-cyclopentyl-2-(2,3-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741202
(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063068
ethyl 6-(cycloheptylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279205
ethyl 6-(cyclooctylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919511
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
N-cyclooctyl-2-(2,3-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523417

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92719871) is (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cccc(N2C(=O)CC[C@@]2(C)C(=O)NC2CCCC2)c1C.
What is the InChIKey of (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DOCDUBZUAIJMLO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-7-6-10-16(14(13)2)21-17(22)11-12-19(21,3)18(23)20-15-8-4-5-9-15/h6-7,10,15H,4-5,8-9,11-12H2,1-3H3,(H,20,23)/t19-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92719871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).