2-phenylethyl N-(oxetan-3-yl)carbamate

C12H15NO3 — CID 141187105

IUPAC2-phenylethyl N-(oxetan-3-yl)carbamate
SMILESO=C(NC1COC1)OCCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-11-8-15-9-11)16-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyITVGZKAKHJMTFC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.35
Rot. Bonds4

About 2-phenylethyl N-(oxetan-3-yl)carbamate

2-phenylethyl N-(oxetan-3-yl)carbamate (PubChem CID 141187105) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylethyl N-(oxetan-3-yl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(oxetan-3-yl)carbamate
PubChem CID141187105
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-phenylethyl N-(oxetan-3-yl)carbamate
SMILESO=C(NC1COC1)OCCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-11-8-15-9-11)16-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyITVGZKAKHJMTFC-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenylethyl N-(oxetan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(oxetan-3-yl)carbamate?
The IUPAC name of 2-phenylethyl N-(oxetan-3-yl)carbamate (CID 141187105) is 2-phenylethyl N-(oxetan-3-yl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(oxetan-3-yl)carbamate?
The canonical SMILES for 2-phenylethyl N-(oxetan-3-yl)carbamate is O=C(NC1COC1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-(oxetan-3-yl)carbamate?
The InChIKey is ITVGZKAKHJMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(13-11-8-15-9-11)16-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of 2-phenylethyl N-(oxetan-3-yl)carbamate?
2-phenylethyl N-(oxetan-3-yl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(oxetan-3-yl)carbamate is sourced from PubChem (CID 141187105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).