benzyl N-(4-oxo-4-phenylbutyl)carbamate

C18H19NO3 — CID 14267852

IUPACbenzyl N-(4-oxo-4-phenylbutyl)carbamate
SMILESO=C(NCCCC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(16-10-5-2-6-11-16)12-7-13-19-18(21)22-14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21)
InChIKeyRCCDABGXSDQBEL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.58
Rot. Bonds7

About benzyl N-(4-oxo-4-phenylbutyl)carbamate

benzyl N-(4-oxo-4-phenylbutyl)carbamate (PubChem CID 14267852) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(4-oxo-4-phenylbutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-oxo-4-phenylbutyl)carbamate
PubChem CID14267852
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(4-oxo-4-phenylbutyl)carbamate
SMILESO=C(NCCCC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(16-10-5-2-6-11-16)12-7-13-19-18(21)22-14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21)
InChIKeyRCCDABGXSDQBEL-UHFFFAOYSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl N-(4-oxo-4-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 benzyl N-(4-oxo-4-phenylbutyl)carbamate?
The IUPAC name of benzyl N-(4-oxo-4-phenylbutyl)carbamate (CID 14267852) is benzyl N-(4-oxo-4-phenylbutyl)carbamate.
What is the SMILES notation for benzyl N-(4-oxo-4-phenylbutyl)carbamate?
The canonical SMILES for benzyl N-(4-oxo-4-phenylbutyl)carbamate is O=C(NCCCC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-oxo-4-phenylbutyl)carbamate?
The InChIKey is RCCDABGXSDQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(16-10-5-2-6-11-16)12-7-13-19-18(21)22-14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,19,21).
What are the key properties of benzyl N-(4-oxo-4-phenylbutyl)carbamate?
benzyl N-(4-oxo-4-phenylbutyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-oxo-4-phenylbutyl)carbamate is sourced from PubChem (CID 14267852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).