2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide

C18H24N2O2 — CID 51230497

IUPAC2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-19-18(22)15-10-6-7-11-16(15)20-17(21)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14H,5,8-9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyILJHBKFTMIZVSH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.37
Rot. Bonds5

About 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide

2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide (PubChem CID 51230497) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
PubChem CID51230497
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-19-18(22)15-10-6-7-11-16(15)20-17(21)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14H,5,8-9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyILJHBKFTMIZVSH-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide 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-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923491
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide (CID 51230497) is 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is ILJHBKFTMIZVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)12-19-18(22)15-10-6-7-11-16(15)20-17(21)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14H,5,8-9,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide?
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 300.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51230497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).