4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C20H22N2O4 — CID 122084514

IUPAC4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22N2O4/c23-19(24)14-9-11-15(12-10-14)21-20(25)22-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13-15H,9-12H2,(H,23,24)(H2,21,22,25)
InChIKeyQODPJURVEKZOLI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.24
Rot. Bonds5

About 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122084514) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122084514
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H22N2O4/c23-19(24)14-9-11-15(12-10-14)21-20(25)22-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13-15H,9-12H2,(H,23,24)(H2,21,22,25)
InChIKeyQODPJURVEKZOLI-UHFFFAOYSA-N
XLogP4.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-phenoxyphenyl)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

4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086156
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122084514) is 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QODPJURVEKZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(24)14-9-11-15(12-10-14)21-20(25)22-16-5-4-8-18(13-16)26-17-6-2-1-3-7-17/h1-8,13-15H,9-12H2,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122084514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).