3-methyl-N-(4-phenylbutyl)butanamide

C15H23NO — CID 2165512

IUPAC3-methyl-N-(4-phenylbutyl)butanamide
SMILESCC(C)CC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13(2)12-15(17)16-11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,16,17)
InChIKeyFYVCBBQXKLQTHA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.17
Rot. Bonds7

About 3-methyl-N-(4-phenylbutyl)butanamide

3-methyl-N-(4-phenylbutyl)butanamide (PubChem CID 2165512) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylbutyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylbutyl)butanamide
PubChem CID2165512
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methyl-N-(4-phenylbutyl)butanamide
SMILESCC(C)CC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13(2)12-15(17)16-11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,16,17)
InChIKeyFYVCBBQXKLQTHA-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.17
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 3-methyl-N-(4-phenylbutyl)butanamide?
The IUPAC name of 3-methyl-N-(4-phenylbutyl)butanamide (CID 2165512) is 3-methyl-N-(4-phenylbutyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-phenylbutyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-phenylbutyl)butanamide is CC(C)CC(=O)NCCCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenylbutyl)butanamide?
The InChIKey is FYVCBBQXKLQTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)12-15(17)16-11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(4-phenylbutyl)butanamide?
3-methyl-N-(4-phenylbutyl)butanamide has a molecular weight of 233.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylbutyl)butanamide is sourced from PubChem (CID 2165512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).