benzyl N-[(E)-1-phenylbut-1-enyl]carbamate

C18H19NO2 — CID 11254534

IUPACbenzyl N-[(E)-1-phenylbut-1-enyl]carbamate
SMILESCC/C=C(/NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9+
InChIKeyKGFDCSHALAFOEC-RQZCQDPDSA-N
MW281.36 g/mol
LogP4.36
Rot. Bonds5

About benzyl N-[(E)-1-phenylbut-1-enyl]carbamate

benzyl N-[(E)-1-phenylbut-1-enyl]carbamate (PubChem CID 11254534) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl N-[(E)-1-phenylbut-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-1-phenylbut-1-enyl]carbamate
PubChem CID11254534
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-[(E)-1-phenylbut-1-enyl]carbamate
SMILESCC/C=C(/NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9+
InChIKeyKGFDCSHALAFOEC-RQZCQDPDSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[(E)-1-phenylbut-1-enyl]carbamate 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 benzyl N-[(E)-1-phenylbut-1-enyl]carbamate?
The IUPAC name of benzyl N-[(E)-1-phenylbut-1-enyl]carbamate (CID 11254534) is benzyl N-[(E)-1-phenylbut-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[(E)-1-phenylbut-1-enyl]carbamate?
The canonical SMILES for benzyl N-[(E)-1-phenylbut-1-enyl]carbamate is CC/C=C(/NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(E)-1-phenylbut-1-enyl]carbamate?
The InChIKey is KGFDCSHALAFOEC-RQZCQDPDSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h3-13H,2,14H2,1H3,(H,19,20)/b17-9+.
What are the key properties of benzyl N-[(E)-1-phenylbut-1-enyl]carbamate?
benzyl N-[(E)-1-phenylbut-1-enyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-1-phenylbut-1-enyl]carbamate is sourced from PubChem (CID 11254534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).