N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide

C33H41NO2 — CID 123618324

IUPACN-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide
SMILESC=CCC(=CC)CCCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C33H41NO2/c1-4-9-24(5-2)11-8-13-32(35)28-20-21-30(31(22-28)34-33(36)27-18-19-27)26-16-14-25(15-17-26)29-12-7-6-10-23(29)3/h4-7,10,12,20-22,25-27H,1,8-9,11,13-19H2,2-3H3,(H,34,36)
InChIKeyZFRSPSYQUAVQEO-UHFFFAOYSA-N
MW483.70 g/mol
LogP8.66
Rot. Bonds11

About N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide

N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide (PubChem CID 123618324) has the molecular formula C33H41NO2 and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide
PubChem CID123618324
Molecular FormulaC33H41NO2
Molecular Weight483.70 g/mol
Exact Mass483.31
IUPAC NameN-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide
SMILESC=CCC(=CC)CCCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(NC(=O)C2CC2)c1
InChIInChI=1S/C33H41NO2/c1-4-9-24(5-2)11-8-13-32(35)28-20-21-30(31(22-28)34-33(36)27-18-19-27)26-16-14-25(15-17-26)29-12-7-6-10-23(29)3/h4-7,10,12,20-22,25-27H,1,8-9,11,13-19H2,2-3H3,(H,34,36)
InChIKeyZFRSPSYQUAVQEO-UHFFFAOYSA-N
XLogP8.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide 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

1-[3-methyl-4-[4-(2-methylphenyl)cyclohexyl]phenyl]-3-(2-propylphenyl)propan-1-one
CID 123234796
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
1-methyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 173416381
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
CID 126696164
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
CID 148520683
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
CID 174875456
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide (CID 123618324) is N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide is C=CCC(=CC)CCCC(=O)c1ccc(C2CCC(c3ccccc3C)CC2)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZFRSPSYQUAVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO2/c1-4-9-24(5-2)11-8-13-32(35)28-20-21-30(31(22-28)34-33(36)27-18-19-27)26-16-14-25(15-17-26)29-12-7-6-10-23(29)3/h4-7,10,12,20-22,25-27H,1,8-9,11,13-19H2,2-3H3,(H,34,36).
What are the key properties of N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide?
N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide has a molecular weight of 483.70 g/mol, XLogP of 8.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethylideneoct-7-enoyl)-2-[4-(2-methylphenyl)cyclohexyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 123618324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).