2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H24N2O4 — CID 3831696

IUPAC2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-14-6-10-16(11-7-14)23-20(25)15-8-12-17(13-9-15)24-21(26)18-4-2-3-5-19(18)22(27)28/h6-13,18-19H,2-5H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyFROLNMMGVQMHDE-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.08
Rot. Bonds5

About 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3831696) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3831696
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-14-6-10-16(11-7-14)23-20(25)15-8-12-17(13-9-15)24-21(26)18-4-2-3-5-19(18)22(27)28/h6-13,18-19H,2-5H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyFROLNMMGVQMHDE-UHFFFAOYSA-N
XLogP4.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 3831696) is 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(NC(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FROLNMMGVQMHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-6-10-16(11-7-14)23-20(25)15-8-12-17(13-9-15)24-21(26)18-4-2-3-5-19(18)22(27)28/h6-13,18-19H,2-5H2,1H3,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3831696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).