N-(4-phenylbutyl)formamide

C11H15NO — CID 20716133

IUPACN-(4-phenylbutyl)formamide
SMILESO=CNCCCCc1ccccc1
InChIInChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13)
InChIKeyFSDTVSVBONVQBJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds6

About N-(4-phenylbutyl)formamide

N-(4-phenylbutyl)formamide (PubChem CID 20716133) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-phenylbutyl)formamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)formamide
PubChem CID20716133
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(4-phenylbutyl)formamide
SMILESO=CNCCCCc1ccccc1
InChIInChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13)
InChIKeyFSDTVSVBONVQBJ-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-phenylbutyl)formamide 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 N-(4-phenylbutyl)formamide?
The IUPAC name of N-(4-phenylbutyl)formamide (CID 20716133) is N-(4-phenylbutyl)formamide.
What is the SMILES notation for N-(4-phenylbutyl)formamide?
The canonical SMILES for N-(4-phenylbutyl)formamide is O=CNCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)formamide?
The InChIKey is FSDTVSVBONVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,12,13).
What are the key properties of N-(4-phenylbutyl)formamide?
N-(4-phenylbutyl)formamide has a molecular weight of 177.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)formamide is sourced from PubChem (CID 20716133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).