benzyl N-phenylmethoxycarbamate

C15H15NO3 — CID 13417381

IUPACbenzyl N-phenylmethoxycarbamate
SMILESO=C(NOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18-11-13-7-3-1-4-8-13)16-19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyPIMQUYFJDPYHBL-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.04
Rot. Bonds5

About benzyl N-phenylmethoxycarbamate

benzyl N-phenylmethoxycarbamate (PubChem CID 13417381) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzyl N-phenylmethoxycarbamate.

Molecular Properties

Compound Namebenzyl N-phenylmethoxycarbamate
PubChem CID13417381
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namebenzyl N-phenylmethoxycarbamate
SMILESO=C(NOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18-11-13-7-3-1-4-8-13)16-19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyPIMQUYFJDPYHBL-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-phenylmethoxycarbamate?
The IUPAC name of benzyl N-phenylmethoxycarbamate (CID 13417381) is benzyl N-phenylmethoxycarbamate.
What is the SMILES notation for benzyl N-phenylmethoxycarbamate?
The canonical SMILES for benzyl N-phenylmethoxycarbamate is O=C(NOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-phenylmethoxycarbamate?
The InChIKey is PIMQUYFJDPYHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18-11-13-7-3-1-4-8-13)16-19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of benzyl N-phenylmethoxycarbamate?
benzyl N-phenylmethoxycarbamate has a molecular weight of 257.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-phenylmethoxycarbamate is sourced from PubChem (CID 13417381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).