(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide

C14H26N2O — CID 114084930

IUPAC(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O/c1-10-8-15-9-12(10)13(17)16-11-4-6-14(2,3)7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyOJANXLMTBXHFJH-ZYHUDNBSSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds2

About (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084930) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID114084930
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O/c1-10-8-15-9-12(10)13(17)16-11-4-6-14(2,3)7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyOJANXLMTBXHFJH-ZYHUDNBSSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-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

4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63715319
N-(1-cyclopropylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 55228814
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
N-(1-ethylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 63715986
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
N-(4,4-dimethylcyclohexyl)-2-methylpyrrolidine-3-carboxamide
CID 79384106
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
CID 79400917
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938
4-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidine-3-carboxamide
CID 113269303

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide (CID 114084930) is (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CNC[C@H]1C(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OJANXLMTBXHFJH-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-8-15-9-12(10)13(17)16-11-4-6-14(2,3)7-5-11/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).