benzyl N-methyl-N-(2-phenylethyl)carbamate

C17H19NO2 — CID 70850693

IUPACbenzyl N-methyl-N-(2-phenylethyl)carbamate
SMILESCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-18(13-12-15-8-4-2-5-9-15)17(19)20-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyRGFWBDIRWKJXST-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.50
Rot. Bonds5

About benzyl N-methyl-N-(2-phenylethyl)carbamate

benzyl N-methyl-N-(2-phenylethyl)carbamate (PubChem CID 70850693) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl N-methyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(2-phenylethyl)carbamate
PubChem CID70850693
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl N-methyl-N-(2-phenylethyl)carbamate
SMILESCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-18(13-12-15-8-4-2-5-9-15)17(19)20-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyRGFWBDIRWKJXST-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(2-phenylethyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(2-phenylethyl)carbamate (CID 70850693) is benzyl N-methyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(2-phenylethyl)carbamate is CN(CCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(2-phenylethyl)carbamate?
The InChIKey is RGFWBDIRWKJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(13-12-15-8-4-2-5-9-15)17(19)20-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of benzyl N-methyl-N-(2-phenylethyl)carbamate?
benzyl N-methyl-N-(2-phenylethyl)carbamate has a molecular weight of 269.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 70850693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).