1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 43397053

IUPAC1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)CC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18-15(19)11-17(16(20)21)9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyHKJZHMKQYZCODW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43397053) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43397053
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)CC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18-15(19)11-17(16(20)21)9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyHKJZHMKQYZCODW-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]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

1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
1-[2-[(2,6-dimethyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 122109509
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397115
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43385413
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396554
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43397053) is 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is Cc1ccc(CNC(=O)CC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is HKJZHMKQYZCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18-15(19)11-17(16(20)21)9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43397053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).