N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide

C15H18N2O2 — CID 17394995

IUPACN-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(18)16-13-7-9-14(10-8-13)17-15(19)12-5-3-2-4-6-12/h2-3,7-10,12H,4-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyDQNVZWDDFGJMLA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.94
Rot. Bonds3

About N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide

N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 17394995) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
PubChem CID17394995
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(18)16-13-7-9-14(10-8-13)17-15(19)12-5-3-2-4-6-12/h2-3,7-10,12H,4-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyDQNVZWDDFGJMLA-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)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

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 80549745
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide (CID 17394995) is N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DQNVZWDDFGJMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)16-13-7-9-14(10-8-13)17-15(19)12-5-3-2-4-6-12/h2-3,7-10,12H,4-6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide?
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 17394995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).