(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 974507

IUPAC(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-13-3-7-16(8-4-13)20-19(23)15-11-18(22)21(12-15)17-9-5-14(2)6-10-17/h5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/t13?,15-,16?/m1/s1
InChIKeyHHWNXIVRKAXJTJ-OGVSOVDVSA-N
MW314.43 g/mol
LogP3.04
Rot. Bonds3

About (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 974507) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID974507
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-13-3-7-16(8-4-13)20-19(23)15-11-18(22)21(12-15)17-9-5-14(2)6-10-17/h5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/t13?,15-,16?/m1/s1
InChIKeyHHWNXIVRKAXJTJ-OGVSOVDVSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-methylcyclohexyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056308
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97039990
(3R)-N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124813851
1-(4-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55534644
N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 39710585
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 974507) is (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1.
What is the InChIKey of (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HHWNXIVRKAXJTJ-OGVSOVDVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-3-7-16(8-4-13)20-19(23)15-11-18(22)21(12-15)17-9-5-14(2)6-10-17/h5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/t13?,15-,16?/m1/s1.
What are the key properties of (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).