(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one

C24H36N2O — CID 124770664

IUPAC(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
SMILESCC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N([C@H](C)CCc2ccccc2)C1=O
InChIInChI=1S/C24H36N2O/c1-16-10-9-13-22(18(16)3)25-23-19(4)20(5)24(27)26(23)17(2)14-15-21-11-7-6-8-12-21/h6-8,11-12,16-18,22-23,25H,9-10,13-15H2,1-5H3/t16-,17+,18-,22+,23+/m0/s1
InChIKeyHVPIHAPTVNHLJF-BRZWXCIUSA-N
MW368.57 g/mol
LogP4.93
Rot. Bonds6

About (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one

(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one (PubChem CID 124770664) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
PubChem CID124770664
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
SMILESCC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N([C@H](C)CCc2ccccc2)C1=O
InChIInChI=1S/C24H36N2O/c1-16-10-9-13-22(18(16)3)25-23-19(4)20(5)24(27)26(23)17(2)14-15-21-11-7-6-8-12-21/h6-8,11-12,16-18,22-23,25H,9-10,13-15H2,1-5H3/t16-,17+,18-,22+,23+/m0/s1
InChIKeyHVPIHAPTVNHLJF-BRZWXCIUSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one 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

(2R)-2-anilino-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
CID 40897302
(2S)-2-anilino-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
CID 40897299
(2S)-3,4-dimethyl-2-(3-methylbutylamino)-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
CID 28587523
(2R)-2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-(3-methylbutyl)-2H-pyrrol-5-one
CID 124770772
(2S)-2-(butylamino)-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
CID 28587550
(2R)-2-(butylamino)-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one
CID 40951013
2-methoxy-3,4-dimethyl-1-(4-phenylbutan-2-yl)-2H-pyrrol-5-one
CID 25246567
(3S)-2-benzyl-3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3H-isoindol-1-one
CID 11893244
1-butyl-2-[(2,3-dimethylcyclohexyl)amino]-3,4-dimethyl-2H-pyrrol-5-one;hydrochloride
CID 163328920
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
(3S)-3-methoxy-2-[(2R)-4-phenylbutan-2-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 28685790
(3S)-3-anilino-2-[(2S)-4-phenylbutan-2-yl]-3H-isoindol-1-one
CID 40897479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one (CID 124770664) is (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one is CC1=C(C)[C@H](N[C@@H]2CCC[C@H](C)[C@@H]2C)N([C@H](C)CCc2ccccc2)C1=O.
What is the InChIKey of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one?
The InChIKey is HVPIHAPTVNHLJF-BRZWXCIUSA-N. The full InChI is InChI=1S/C24H36N2O/c1-16-10-9-13-22(18(16)3)25-23-19(4)20(5)24(27)26(23)17(2)14-15-21-11-7-6-8-12-21/h6-8,11-12,16-18,22-23,25H,9-10,13-15H2,1-5H3/t16-,17+,18-,22+,23+/m0/s1.
What are the key properties of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one?
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one has a molecular weight of 368.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2R)-4-phenylbutan-2-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 124770664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).