2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one

C33H52ClN5O4 — CID 172579464

IUPAC2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one
SMILESCC(C)[C@H]1CCN(C)C1C(=O)N[C@@H](C)C#N.CCCC[C@@H](C=O)NC(=O)C(C)(C)c1ccc(Cl)cc1.C[C@H]1CCNC1=O
InChIInChI=1S/C16H22ClNO2.C12H21N3O.C5H9NO/c1-4-5-6-14(11-19)18-15(20)16(2,3)12-7-9-13(17)10-8-12;1-8(2)10-5-6-15(4)11(10)12(16)14-9(3)7-13;1-4-2-3-6-5(4)7/h7-11,14H,4-6H2,1-3H3,(H,18,20);8-11H,5-6H2,1-4H3,(H,14,16);4H,2-3H2,1H3,(H,6,7)/t14-;9-,10+,11?;4-/m000/s1
InChIKeyPVRUIBOWDYRYQM-GFPUKYNRSA-N
MW618.26 g/mol
LogP4.62
Rot. Bonds10

About 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one

2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one (PubChem CID 172579464) has the molecular formula C33H52ClN5O4 and a molecular weight of 618.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one
PubChem CID172579464
Molecular FormulaC33H52ClN5O4
Molecular Weight618.26 g/mol
Exact Mass617.37
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one
SMILESCC(C)[C@H]1CCN(C)C1C(=O)N[C@@H](C)C#N.CCCC[C@@H](C=O)NC(=O)C(C)(C)c1ccc(Cl)cc1.C[C@H]1CCNC1=O
InChIInChI=1S/C16H22ClNO2.C12H21N3O.C5H9NO/c1-4-5-6-14(11-19)18-15(20)16(2,3)12-7-9-13(17)10-8-12;1-8(2)10-5-6-15(4)11(10)12(16)14-9(3)7-13;1-4-2-3-6-5(4)7/h7-11,14H,4-6H2,1-3H3,(H,18,20);8-11H,5-6H2,1-4H3,(H,14,16);4H,2-3H2,1H3,(H,6,7)/t14-;9-,10+,11?;4-/m000/s1
InChIKeyPVRUIBOWDYRYQM-GFPUKYNRSA-N
XLogP4.62
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.26
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-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

(3R)-1-[(2S)-2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]hexanoyl]-N-[(1S)-1-cyanoethyl]-3-propan-2-ylpyrrolidine-2-carboxamide;(2S)-2-methyl-4-(methylamino)butanal
CID 172579462
(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide
CID 172579465
(1R,2S,5S)-6,6-dimethyl-3-(2-methyl-2-phenylpropanoyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171088026
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
[2-(3-chlorophenyl)-2-methyl-1-phenylpropyl] N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]hexan-2-yl]carbamate
CID 156883747
6-(4-chlorophenyl)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-7,7,7-trifluoro-6-hydroxy-5,5-dimethyl-2-(2-methylpropyl)-4-oxoheptanamide
CID 167601943
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
(3aR,6aR)-2-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163407675
tert-butyl N-[1-[(4R)-2-(1-cyanoethylcarbamoyl)-4-propylpyrrolidin-1-yl]-5-[(4S)-3-methyl-2-oxopiperidin-4-yl]-1-oxopentan-2-yl]carbamate
CID 172579596
(3S,3aS)-2-[2-(2,4-dichlorophenoxy)-2-methylpropanoyl]-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166964294
[(1S)-2-(3-chlorophenyl)-2,2-difluoro-1-pyridin-3-ylethyl] N-[(2S)-1-hydroxy-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]hexan-2-yl]carbamate
CID 167455496
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,4-dimethylpentanamide
CID 174217154

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one (CID 172579464) is 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one is CC(C)[C@H]1CCN(C)C1C(=O)N[C@@H](C)C#N.CCCC[C@@H](C=O)NC(=O)C(C)(C)c1ccc(Cl)cc1.C[C@H]1CCNC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one?
The InChIKey is PVRUIBOWDYRYQM-GFPUKYNRSA-N. The full InChI is InChI=1S/C16H22ClNO2.C12H21N3O.C5H9NO/c1-4-5-6-14(11-19)18-15(20)16(2,3)12-7-9-13(17)10-8-12;1-8(2)10-5-6-15(4)11(10)12(16)14-9(3)7-13;1-4-2-3-6-5(4)7/h7-11,14H,4-6H2,1-3H3,(H,18,20);8-11H,5-6H2,1-4H3,(H,14,16);4H,2-3H2,1H3,(H,6,7)/t14-;9-,10+,11?;4-/m000/s1.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one?
2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one has a molecular weight of 618.26 g/mol, XLogP of 4.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-[(2S)-1-oxohexan-2-yl]propanamide;(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide;(3S)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 172579464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).