N-(2-phenylphenyl)octanamide

C20H25NO — CID 24806280

IUPACN-(2-phenylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)
InChIKeyCLTPDJWVYAJEKC-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.65
Rot. Bonds8

About N-(2-phenylphenyl)octanamide

N-(2-phenylphenyl)octanamide (PubChem CID 24806280) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-phenylphenyl)octanamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)octanamide
PubChem CID24806280
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(2-phenylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)
InChIKeyCLTPDJWVYAJEKC-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.65
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-(2-phenylphenyl)octanamide?
The IUPAC name of N-(2-phenylphenyl)octanamide (CID 24806280) is N-(2-phenylphenyl)octanamide.
What is the SMILES notation for N-(2-phenylphenyl)octanamide?
The canonical SMILES for N-(2-phenylphenyl)octanamide is CCCCCCCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)octanamide?
The InChIKey is CLTPDJWVYAJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22).
What are the key properties of N-(2-phenylphenyl)octanamide?
N-(2-phenylphenyl)octanamide has a molecular weight of 295.43 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)octanamide is sourced from PubChem (CID 24806280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).