2-phenylbutyl carbamate

C11H15NO2 — CID 59898507

IUPAC2-phenylbutyl carbamate
SMILESCCC(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-9(8-14-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)
InChIKeyHEJCTMDGVICQOE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.28
Rot. Bonds4

About 2-phenylbutyl carbamate

2-phenylbutyl carbamate (PubChem CID 59898507) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-phenylbutyl carbamate.

Molecular Properties

Compound Name2-phenylbutyl carbamate
PubChem CID59898507
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-phenylbutyl carbamate
SMILESCCC(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-9(8-14-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13)
InChIKeyHEJCTMDGVICQOE-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenylbutyl 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-phenylbutyl carbamate?
The IUPAC name of 2-phenylbutyl carbamate (CID 59898507) is 2-phenylbutyl carbamate.
What is the SMILES notation for 2-phenylbutyl carbamate?
The canonical SMILES for 2-phenylbutyl carbamate is CCC(COC(N)=O)c1ccccc1.
What is the InChIKey of 2-phenylbutyl carbamate?
The InChIKey is HEJCTMDGVICQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-9(8-14-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,12,13).
What are the key properties of 2-phenylbutyl carbamate?
2-phenylbutyl carbamate has a molecular weight of 193.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbutyl carbamate is sourced from PubChem (CID 59898507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).