2-phenyl-N-(3-phenylpropyl)butanamide

C19H23NO — CID 2923958

IUPAC2-phenyl-N-(3-phenylpropyl)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21)
InChIKeySXIUAIIOTPDKMU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.93
Rot. Bonds7

About 2-phenyl-N-(3-phenylpropyl)butanamide

2-phenyl-N-(3-phenylpropyl)butanamide (PubChem CID 2923958) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylpropyl)butanamide
PubChem CID2923958
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-phenyl-N-(3-phenylpropyl)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21)
InChIKeySXIUAIIOTPDKMU-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.93
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 2-phenyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of 2-phenyl-N-(3-phenylpropyl)butanamide (CID 2923958) is 2-phenyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 2-phenyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 2-phenyl-N-(3-phenylpropyl)butanamide is CCC(C(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(3-phenylpropyl)butanamide?
The InChIKey is SXIUAIIOTPDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21).
What are the key properties of 2-phenyl-N-(3-phenylpropyl)butanamide?
2-phenyl-N-(3-phenylpropyl)butanamide has a molecular weight of 281.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 2923958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).