N-(3-phenylpropyl)benzamide

C16H17NO — CID 2268454

IUPACN-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18)
InChIKeyWWHBQLKTQNBYQG-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds5

About N-(3-phenylpropyl)benzamide

N-(3-phenylpropyl)benzamide (PubChem CID 2268454) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)benzamide
PubChem CID2268454
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18)
InChIKeyWWHBQLKTQNBYQG-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)benzamide?
The IUPAC name of N-(3-phenylpropyl)benzamide (CID 2268454) is N-(3-phenylpropyl)benzamide.
What is the SMILES notation for N-(3-phenylpropyl)benzamide?
The canonical SMILES for N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)benzamide?
The InChIKey is WWHBQLKTQNBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,17,18).
What are the key properties of N-(3-phenylpropyl)benzamide?
N-(3-phenylpropyl)benzamide has a molecular weight of 239.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 2268454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).