[3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate

C19H22N2O2 — CID 11404123

IUPAC[3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate
SMILESNc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c20-16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-19(22)21-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,20H2,(H,21,22)
InChIKeyXIZFUBDCRAUESN-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.36
Rot. Bonds3

About [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate

[3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11404123) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11404123
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate
SMILESNc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c20-16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-19(22)21-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,20H2,(H,21,22)
InChIKeyXIZFUBDCRAUESN-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'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate (CID 11404123) is [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate is Nc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is XIZFUBDCRAUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-19(22)21-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10,20H2,(H,21,22).
What are the key properties of [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-aminophenyl)phenyl] 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 [3-(3-aminophenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11404123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).