benzyl N-benzylcarbamate

C15H15NO2 — CID 4935691

IUPACbenzyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyILKFHZRKLTWFKR-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.11
Rot. Bonds4

About benzyl N-benzylcarbamate

benzyl N-benzylcarbamate (PubChem CID 4935691) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is benzyl N-benzylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzylcarbamate
PubChem CID4935691
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namebenzyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyILKFHZRKLTWFKR-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-benzylcarbamate 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-benzylcarbamate?
The IUPAC name of benzyl N-benzylcarbamate (CID 4935691) is benzyl N-benzylcarbamate.
What is the SMILES notation for benzyl N-benzylcarbamate?
The canonical SMILES for benzyl N-benzylcarbamate is O=C(NCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-benzylcarbamate?
The InChIKey is ILKFHZRKLTWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of benzyl N-benzylcarbamate?
benzyl N-benzylcarbamate has a molecular weight of 241.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzylcarbamate is sourced from PubChem (CID 4935691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).