butan-2-yl N-(1-phenylethyl)carbamate

C13H19NO2 — CID 569016

IUPACbutan-2-yl N-(1-phenylethyl)carbamate
SMILESCCC(C)OC(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-10(2)16-13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChIKeyXZRNRKMCRGIEQZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.27
Rot. Bonds4

About butan-2-yl N-(1-phenylethyl)carbamate

butan-2-yl N-(1-phenylethyl)carbamate (PubChem CID 569016) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is butan-2-yl N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Namebutan-2-yl N-(1-phenylethyl)carbamate
PubChem CID569016
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebutan-2-yl N-(1-phenylethyl)carbamate
SMILESCCC(C)OC(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-10(2)16-13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChIKeyXZRNRKMCRGIEQZ-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-(1-phenylethyl)carbamate?
The IUPAC name of butan-2-yl N-(1-phenylethyl)carbamate (CID 569016) is butan-2-yl N-(1-phenylethyl)carbamate.
What is the SMILES notation for butan-2-yl N-(1-phenylethyl)carbamate?
The canonical SMILES for butan-2-yl N-(1-phenylethyl)carbamate is CCC(C)OC(=O)NC(C)c1ccccc1.
What is the InChIKey of butan-2-yl N-(1-phenylethyl)carbamate?
The InChIKey is XZRNRKMCRGIEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(2)16-13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15).
What are the key properties of butan-2-yl N-(1-phenylethyl)carbamate?
butan-2-yl N-(1-phenylethyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-(1-phenylethyl)carbamate is sourced from PubChem (CID 569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).