benzyl N-(3-phenylprop-2-enyl)carbamate

C17H17NO2 — CID 73111025

IUPACbenzyl N-(3-phenylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,18,19)
InChIKeySDPDNVRHOJHYMN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds5

About benzyl N-(3-phenylprop-2-enyl)carbamate

benzyl N-(3-phenylprop-2-enyl)carbamate (PubChem CID 73111025) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl N-(3-phenylprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-phenylprop-2-enyl)carbamate
PubChem CID73111025
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl N-(3-phenylprop-2-enyl)carbamate
SMILESO=C(NCC=Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,18,19)
InChIKeySDPDNVRHOJHYMN-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-phenylprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(3-phenylprop-2-enyl)carbamate (CID 73111025) is benzyl N-(3-phenylprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(3-phenylprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(3-phenylprop-2-enyl)carbamate is O=C(NCC=Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-phenylprop-2-enyl)carbamate?
The InChIKey is SDPDNVRHOJHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,18,19).
What are the key properties of benzyl N-(3-phenylprop-2-enyl)carbamate?
benzyl N-(3-phenylprop-2-enyl)carbamate has a molecular weight of 267.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-phenylprop-2-enyl)carbamate is sourced from PubChem (CID 73111025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).