(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide

C24H35N3O3 — CID 51071442

IUPAC(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)16-21(28)27-15-7-10-20(27)23(30)26-19-13-11-18(12-14-19)25-22(29)17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3,(H,25,29)(H,26,30)/t18?,19?,20-/m0/s1
InChIKeyJFQJNCXPXFTTSQ-MHJFOBGBSA-N
MW413.56 g/mol
LogP3.27
Rot. Bonds5

About (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide

(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 51071442) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID51071442
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)16-21(28)27-15-7-10-20(27)23(30)26-19-13-11-18(12-14-19)25-22(29)17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3,(H,25,29)(H,26,30)/t18?,19?,20-/m0/s1
InChIKeyJFQJNCXPXFTTSQ-MHJFOBGBSA-N
XLogP3.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide 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)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
1-(3,3-dimethylbutanoyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 136512000
(2S)-1-(3,3-dimethylbutanoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071501
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2S)-1-dodecanoyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071427

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide (CID 51071442) is (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide is CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is JFQJNCXPXFTTSQ-MHJFOBGBSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-24(2,3)16-21(28)27-15-7-10-20(27)23(30)26-19-13-11-18(12-14-19)25-22(29)17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3,(H,25,29)(H,26,30)/t18?,19?,20-/m0/s1.
What are the key properties of (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51071442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).