3-phenylpropyl N-phenylcarbamate

C16H17NO2 — CID 2254838

IUPAC3-phenylpropyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18)
InChIKeyOOKMUPQNYCIXMA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.87
Rot. Bonds5

About 3-phenylpropyl N-phenylcarbamate

3-phenylpropyl N-phenylcarbamate (PubChem CID 2254838) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-phenylpropyl N-phenylcarbamate.

Molecular Properties

Compound Name3-phenylpropyl N-phenylcarbamate
PubChem CID2254838
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-phenylpropyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18)
InChIKeyOOKMUPQNYCIXMA-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenylpropyl N-phenylcarbamate 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 3-phenylpropyl N-phenylcarbamate?
The IUPAC name of 3-phenylpropyl N-phenylcarbamate (CID 2254838) is 3-phenylpropyl N-phenylcarbamate.
What is the SMILES notation for 3-phenylpropyl N-phenylcarbamate?
The canonical SMILES for 3-phenylpropyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-phenylcarbamate?
The InChIKey is OOKMUPQNYCIXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18).
What are the key properties of 3-phenylpropyl N-phenylcarbamate?
3-phenylpropyl N-phenylcarbamate has a molecular weight of 255.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-phenylcarbamate is sourced from PubChem (CID 2254838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).