tert-butyl N-(2-phenylethyl)carbamate

C13H19NO2 — CID 3541750

IUPACtert-butyl N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyVUOOOFYYTHRGJI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-(2-phenylethyl)carbamate

tert-butyl N-(2-phenylethyl)carbamate (PubChem CID 3541750) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is tert-butyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenylethyl)carbamate
PubChem CID3541750
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyVUOOOFYYTHRGJI-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenylethyl)carbamate (CID 3541750) is tert-butyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenylethyl)carbamate is CC(C)(C)OC(=O)NCCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenylethyl)carbamate?
The InChIKey is VUOOOFYYTHRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-phenylethyl)carbamate?
tert-butyl N-(2-phenylethyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 3541750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).