4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 120673281

IUPAC4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,15-16H,2,7-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyUSKXCOMBUBYEPE-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.80
Rot. Bonds6

About 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673281) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673281
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,15-16H,2,7-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyUSKXCOMBUBYEPE-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid 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

4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
4-[2-(4-nitrophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673048
4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673281) is 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is CCc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is USKXCOMBUBYEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-13-3-5-14(6-4-13)11-12-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,15-16H,2,7-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).