(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide

C15H24N2O2 — CID 95196070

IUPAC(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide
SMILESCNC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C15H24N2O2/c1-10-5-11(8-15(2,3)7-10)6-13(18)12(9-16)14(19)17-4/h10-12H,5-8H2,1-4H3,(H,17,19)/t10-,11-,12+/m0/s1
InChIKeyMUZOKSPRXKEVSL-SDDRHHMPSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide

(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide (PubChem CID 95196070) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide
PubChem CID95196070
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide
SMILESCNC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C15H24N2O2/c1-10-5-11(8-15(2,3)7-10)6-13(18)12(9-16)14(19)17-4/h10-12H,5-8H2,1-4H3,(H,17,19)/t10-,11-,12+/m0/s1
InChIKeyMUZOKSPRXKEVSL-SDDRHHMPSA-N
XLogP2.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide 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

2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119385531
2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
CID 119171819
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 120947279
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 95180129
N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 86884561
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119580837
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide?
The IUPAC name of (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide (CID 95196070) is (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide.
What is the SMILES notation for (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide?
The canonical SMILES for (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide is CNC(=O)[C@H](C#N)C(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1.
What is the InChIKey of (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide?
The InChIKey is MUZOKSPRXKEVSL-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-11(8-15(2,3)7-10)6-13(18)12(9-16)14(19)17-4/h10-12H,5-8H2,1-4H3,(H,17,19)/t10-,11-,12+/m0/s1.
What are the key properties of (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide?
(2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-methyl-3-oxo-4-[(1R,5S)-3,3,5-trimethylcyclohexyl]butanamide is sourced from PubChem (CID 95196070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).