prop-2-enyl N-benzyl-N-phenylcarbamate

C17H17NO2 — CID 70608601

IUPACprop-2-enyl N-benzyl-N-phenylcarbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-13-20-17(19)18(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyJNHCUGXJYMXJNV-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.02
Rot. Bonds5

About prop-2-enyl N-benzyl-N-phenylcarbamate

prop-2-enyl N-benzyl-N-phenylcarbamate (PubChem CID 70608601) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is prop-2-enyl N-benzyl-N-phenylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-benzyl-N-phenylcarbamate
PubChem CID70608601
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameprop-2-enyl N-benzyl-N-phenylcarbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-13-20-17(19)18(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyJNHCUGXJYMXJNV-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-benzyl-N-phenylcarbamate?
The IUPAC name of prop-2-enyl N-benzyl-N-phenylcarbamate (CID 70608601) is prop-2-enyl N-benzyl-N-phenylcarbamate.
What is the SMILES notation for prop-2-enyl N-benzyl-N-phenylcarbamate?
The canonical SMILES for prop-2-enyl N-benzyl-N-phenylcarbamate is C=CCOC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl N-benzyl-N-phenylcarbamate?
The InChIKey is JNHCUGXJYMXJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-13-20-17(19)18(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h2-12H,1,13-14H2.
What are the key properties of prop-2-enyl N-benzyl-N-phenylcarbamate?
prop-2-enyl N-benzyl-N-phenylcarbamate has a molecular weight of 267.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-benzyl-N-phenylcarbamate is sourced from PubChem (CID 70608601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).