butyl N-(2-phenylethyl)carbamate

C13H19NO2 — CID 10176847

IUPACbutyl N-(2-phenylethyl)carbamate
SMILESCCCCOC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-11-16-13(15)14-10-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15)
InChIKeyLUGMZFCJHLOENU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.76
Rot. Bonds6

About butyl N-(2-phenylethyl)carbamate

butyl N-(2-phenylethyl)carbamate (PubChem CID 10176847) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is butyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-phenylethyl)carbamate
PubChem CID10176847
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebutyl N-(2-phenylethyl)carbamate
SMILESCCCCOC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-11-16-13(15)14-10-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15)
InChIKeyLUGMZFCJHLOENU-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(2-phenylethyl)carbamate?
The IUPAC name of butyl N-(2-phenylethyl)carbamate (CID 10176847) is butyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for butyl N-(2-phenylethyl)carbamate?
The canonical SMILES for butyl N-(2-phenylethyl)carbamate is CCCCOC(=O)NCCc1ccccc1.
What is the InChIKey of butyl N-(2-phenylethyl)carbamate?
The InChIKey is LUGMZFCJHLOENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-11-16-13(15)14-10-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15).
What are the key properties of butyl N-(2-phenylethyl)carbamate?
butyl N-(2-phenylethyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 10176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).