[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate

C17H17NO2 — CID 10061826

IUPAC[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate
SMILESC/C=C\C(OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-9-16(14-10-5-3-6-11-14)20-17(19)18-15-12-7-4-8-13-15/h2-13,16H,1H3,(H,18,19)/b9-2-
InChIKeyIQHXHKGUGNGGJU-MBXJOHMKSA-N
MW267.33 g/mol
LogP4.55
Rot. Bonds4

About [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate

[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate (PubChem CID 10061826) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate
PubChem CID10061826
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate
SMILESC/C=C\C(OC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-9-16(14-10-5-3-6-11-14)20-17(19)18-15-12-7-4-8-13-15/h2-13,16H,1H3,(H,18,19)/b9-2-
InChIKeyIQHXHKGUGNGGJU-MBXJOHMKSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate 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 [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate?
The IUPAC name of [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate (CID 10061826) is [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate.
What is the SMILES notation for [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate?
The canonical SMILES for [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate is C/C=C\C(OC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate?
The InChIKey is IQHXHKGUGNGGJU-MBXJOHMKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-9-16(14-10-5-3-6-11-14)20-17(19)18-15-12-7-4-8-13-15/h2-13,16H,1H3,(H,18,19)/b9-2-.
What are the key properties of [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate?
[(Z)-1-phenylbut-2-enyl] N-phenylcarbamate has a molecular weight of 267.33 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylbut-2-enyl] N-phenylcarbamate is sourced from PubChem (CID 10061826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).