(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide

C13H22N2O2 — CID 25474228

IUPAC(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-9-15-13(17)11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyBIDDYMDTWHEEKF-NSHDSACASA-N
MW238.33 g/mol
LogP1.23
Rot. Bonds5

About (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 25474228) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID25474228
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-9-15-13(17)11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyBIDDYMDTWHEEKF-NSHDSACASA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-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

3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 167920644
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide (CID 25474228) is (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide is CC(C)C(=O)NCCNC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is BIDDYMDTWHEEKF-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)12(16)14-8-9-15-13(17)11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 25474228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).