4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid

C20H28N2O4 — CID 145315259

IUPAC4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid
SMILESO=C(NC1CCCCC1)NC1CCC(Oc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)22-20(25)21-15-4-2-1-3-5-15/h6-7,10-11,15-16,18H,1-5,8-9,12-13H2,(H,23,24)(H2,21,22,25)
InChIKeyOVKYOOTTWMYNIV-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.71
Rot. Bonds5

About 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid

4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid (PubChem CID 145315259) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid.

Molecular Properties

Compound Name4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid
PubChem CID145315259
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid
SMILESO=C(NC1CCCCC1)NC1CCC(Oc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)22-20(25)21-15-4-2-1-3-5-15/h6-7,10-11,15-16,18H,1-5,8-9,12-13H2,(H,23,24)(H2,21,22,25)
InChIKeyOVKYOOTTWMYNIV-UHFFFAOYSA-N
XLogP3.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid?
The IUPAC name of 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid (CID 145315259) is 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid.
What is the SMILES notation for 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid?
The canonical SMILES for 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid is O=C(NC1CCCCC1)NC1CCC(Oc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid?
The InChIKey is OVKYOOTTWMYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(24)14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)22-20(25)21-15-4-2-1-3-5-15/h6-7,10-11,15-16,18H,1-5,8-9,12-13H2,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid?
4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid has a molecular weight of 360.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid is sourced from PubChem (CID 145315259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).