N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

C26H28N2O3 — CID 19133594

IUPACN-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-18-13-14-23(22(17-18)24(29)19-9-3-2-4-10-19)27-25(30)20-11-5-6-12-21(20)26(31)28-15-7-8-16-28/h2-6,9-10,13-14,17,20-21H,7-8,11-12,15-16H2,1H3,(H,27,30)
InChIKeyJLBUXIMXHPJNQK-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.37
Rot. Bonds5

About N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 19133594) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID19133594
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-18-13-14-23(22(17-18)24(29)19-9-3-2-4-10-19)27-25(30)20-11-5-6-12-21(20)26(31)28-15-7-8-16-28/h2-6,9-10,13-14,17,20-21H,7-8,11-12,15-16H2,1H3,(H,27,30)
InChIKeyJLBUXIMXHPJNQK-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)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-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133640
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847
2-N-(2-benzoyl-4-chlorophenyl)-1-N-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873769
6-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331349
1-N-(2-benzoyl-4-bromophenyl)-2-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 19133790
N-(2-benzoyl-4-methylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935172
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 93083461
N-(2-benzoyl-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829294
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
(1R,6S)-6-[[2-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 982011
(1R,6R)-6-[(2-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40872987

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 19133594) is N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JLBUXIMXHPJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-13-14-23(22(17-18)24(29)19-9-3-2-4-10-19)27-25(30)20-11-5-6-12-21(20)26(31)28-15-7-8-16-28/h2-6,9-10,13-14,17,20-21H,7-8,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 19133594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).