benzyl N-phenyl-N-propylcarbamate

C17H19NO2 — CID 11277217

IUPACbenzyl N-phenyl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-13-18(16-11-7-4-8-12-16)17(19)20-14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyXXRLAKSTGMBNSP-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.24
Rot. Bonds5

About benzyl N-phenyl-N-propylcarbamate

benzyl N-phenyl-N-propylcarbamate (PubChem CID 11277217) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl N-phenyl-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-phenyl-N-propylcarbamate
PubChem CID11277217
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl N-phenyl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-13-18(16-11-7-4-8-12-16)17(19)20-14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyXXRLAKSTGMBNSP-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl N-phenyl-N-propylcarbamate 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-phenyl-N-propylcarbamate?
The IUPAC name of benzyl N-phenyl-N-propylcarbamate (CID 11277217) is benzyl N-phenyl-N-propylcarbamate.
What is the SMILES notation for benzyl N-phenyl-N-propylcarbamate?
The canonical SMILES for benzyl N-phenyl-N-propylcarbamate is CCCN(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-phenyl-N-propylcarbamate?
The InChIKey is XXRLAKSTGMBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-13-18(16-11-7-4-8-12-16)17(19)20-14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3.
What are the key properties of benzyl N-phenyl-N-propylcarbamate?
benzyl N-phenyl-N-propylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-phenyl-N-propylcarbamate is sourced from PubChem (CID 11277217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).