2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide

C18H27NO — CID 54547003

IUPAC2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(c2ccc(CC)cc2)C(C(N)=O)C1
InChIInChI=1S/C18H27NO/c1-3-5-14-8-11-16(17(12-14)18(19)20)15-9-6-13(4-2)7-10-15/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3,(H2,19,20)
InChIKeyZHFOGKZEMPEXAJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide

2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide (PubChem CID 54547003) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide
PubChem CID54547003
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(c2ccc(CC)cc2)C(C(N)=O)C1
InChIInChI=1S/C18H27NO/c1-3-5-14-8-11-16(17(12-14)18(19)20)15-9-6-13(4-2)7-10-15/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3,(H2,19,20)
InChIKeyZHFOGKZEMPEXAJ-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-ethylphenyl)-5-propylcyclohexane-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

carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977
methyl (2R)-2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylate
CID 171633291
2-phenylcyclobutane-1-carboxamide
CID 132565333
2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 141048660
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659
2-(4-ethylphenoxy)-4-propylcyclohexan-1-ol
CID 63472519
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide (CID 54547003) is 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide is CCCC1CCC(c2ccc(CC)cc2)C(C(N)=O)C1.
What is the InChIKey of 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide?
The InChIKey is ZHFOGKZEMPEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-5-14-8-11-16(17(12-14)18(19)20)15-9-6-13(4-2)7-10-15/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3,(H2,19,20).
What are the key properties of 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide?
2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 54547003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).