4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C17H22N2O5 — CID 122076103

IUPAC4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H22N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyHFRMALQDGMVDGD-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.63
Rot. Bonds5

About 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122076103) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122076103
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H22N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyHFRMALQDGMVDGD-UHFFFAOYSA-N
XLogP2.63
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethoxycarbonylphenyl)carbamoylamino]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

ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465
ethyl 4-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47039944
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
2-[cyclopropylmethyl-[3-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076099
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
benzyl 4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxybenzoate
CID 157304706
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
ethyl 4-(1-oxaspiro[4.4]nonan-3-ylcarbamoylamino)benzoate
CID 72940176

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122076103) is 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is CCOC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HFRMALQDGMVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)(H2,18,19,23).
What are the key properties of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).