(4-amino-3-phenylphenyl) N-cyclohexylcarbamate

C19H22N2O2 — CID 44626362

IUPAC(4-amino-3-phenylphenyl) N-cyclohexylcarbamate
SMILESNc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18-12-11-16(13-17(18)14-7-3-1-4-8-14)23-19(22)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10,20H2,(H,21,22)
InChIKeyHNZBPEXNRHVMSN-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.36
Rot. Bonds3

About (4-amino-3-phenylphenyl) N-cyclohexylcarbamate

(4-amino-3-phenylphenyl) N-cyclohexylcarbamate (PubChem CID 44626362) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-amino-3-phenylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(4-amino-3-phenylphenyl) N-cyclohexylcarbamate
PubChem CID44626362
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-amino-3-phenylphenyl) N-cyclohexylcarbamate
SMILESNc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C19H22N2O2/c20-18-12-11-16(13-17(18)14-7-3-1-4-8-14)23-19(22)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10,20H2,(H,21,22)
InChIKeyHNZBPEXNRHVMSN-UHFFFAOYSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-3-phenylphenyl) N-cyclohexylcarbamate 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-amino-3-phenylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (4-amino-3-phenylphenyl) N-cyclohexylcarbamate (CID 44626362) is (4-amino-3-phenylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (4-amino-3-phenylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (4-amino-3-phenylphenyl) N-cyclohexylcarbamate is Nc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of (4-amino-3-phenylphenyl) N-cyclohexylcarbamate?
The InChIKey is HNZBPEXNRHVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-18-12-11-16(13-17(18)14-7-3-1-4-8-14)23-19(22)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10,20H2,(H,21,22).
What are the key properties of (4-amino-3-phenylphenyl) N-cyclohexylcarbamate?
(4-amino-3-phenylphenyl) N-cyclohexylcarbamate has a molecular weight of 310.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-phenylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 44626362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).