4-[(4-ethylcyclohexanecarbonyl)amino]benzoate

C16H20NO3- — CID 6991461

IUPAC4-[(4-ethylcyclohexanecarbonyl)amino]benzoate
SMILESCCC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-11-3-5-12(6-4-11)15(18)17-14-9-7-13(8-10-14)16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyXNGKLZQCWQDSON-UHFFFAOYSA-M
MW274.34 g/mol
LogP2.20
Rot. Bonds4

About 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate

4-[(4-ethylcyclohexanecarbonyl)amino]benzoate (PubChem CID 6991461) has the molecular formula C16H20NO3- and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate.

Molecular Properties

Compound Name4-[(4-ethylcyclohexanecarbonyl)amino]benzoate
PubChem CID6991461
Molecular FormulaC16H20NO3-
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name4-[(4-ethylcyclohexanecarbonyl)amino]benzoate
SMILESCCC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-11-3-5-12(6-4-11)15(18)17-14-9-7-13(8-10-14)16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyXNGKLZQCWQDSON-UHFFFAOYSA-M
XLogP2.20
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate 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-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
CID 82254675
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate?
The IUPAC name of 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate (CID 6991461) is 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate.
What is the SMILES notation for 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate?
The canonical SMILES for 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate is CCC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate?
The InChIKey is XNGKLZQCWQDSON-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21NO3/c1-2-11-3-5-12(6-4-11)15(18)17-14-9-7-13(8-10-14)16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate?
4-[(4-ethylcyclohexanecarbonyl)amino]benzoate has a molecular weight of 274.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexanecarbonyl)amino]benzoate is sourced from PubChem (CID 6991461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).