1-(4-aminophenyl)-3-cyclohexylurea

C13H19N3O — CID 572632

IUPAC1-(4-aminophenyl)-3-cyclohexylurea
SMILESNc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5,14H2,(H2,15,16,17)
InChIKeyMBHQHCVQHAQQMY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-aminophenyl)-3-cyclohexylurea

1-(4-aminophenyl)-3-cyclohexylurea (PubChem CID 572632) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-cyclohexylurea
PubChem CID572632
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-aminophenyl)-3-cyclohexylurea
SMILESNc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5,14H2,(H2,15,16,17)
InChIKeyMBHQHCVQHAQQMY-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-cyclohexylurea 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

N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
Siduron
CID 16116
Carbanilide
CID 7595
Fenuron
CID 7560
Phenylurea
CID 6145
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Methyl-N',N'-diphenylurea
CID 25711
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-aminophenyl)-3-cyclohexylurea (CID 572632) is 1-(4-aminophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-cyclohexylurea is Nc1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-cyclohexylurea?
The InChIKey is MBHQHCVQHAQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5,14H2,(H2,15,16,17).
What are the key properties of 1-(4-aminophenyl)-3-cyclohexylurea?
1-(4-aminophenyl)-3-cyclohexylurea has a molecular weight of 233.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-cyclohexylurea is sourced from PubChem (CID 572632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).