benzyl N-phenacylcarbamate

C16H15NO3 — CID 13371503

IUPACbenzyl N-phenacylcarbamate
SMILESO=C(NCC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19)
InChIKeyDXHNCAPSLILWGT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.80
Rot. Bonds5

About benzyl N-phenacylcarbamate

benzyl N-phenacylcarbamate (PubChem CID 13371503) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is benzyl N-phenacylcarbamate.

Molecular Properties

Compound Namebenzyl N-phenacylcarbamate
PubChem CID13371503
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namebenzyl N-phenacylcarbamate
SMILESO=C(NCC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19)
InChIKeyDXHNCAPSLILWGT-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-phenacylcarbamate?
The IUPAC name of benzyl N-phenacylcarbamate (CID 13371503) is benzyl N-phenacylcarbamate.
What is the SMILES notation for benzyl N-phenacylcarbamate?
The canonical SMILES for benzyl N-phenacylcarbamate is O=C(NCC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-phenacylcarbamate?
The InChIKey is DXHNCAPSLILWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19).
What are the key properties of benzyl N-phenacylcarbamate?
benzyl N-phenacylcarbamate has a molecular weight of 269.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-phenacylcarbamate is sourced from PubChem (CID 13371503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).