N-(3-methylbutyl)-4-phenoxybutanamide

C15H23NO2 — CID 2164620

IUPACN-(3-methylbutyl)-4-phenoxybutanamide
SMILESCC(C)CCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(2)10-11-16-15(17)9-6-12-18-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,16,17)
InChIKeyPXQCAZREGQKQBA-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.01
Rot. Bonds8

About N-(3-methylbutyl)-4-phenoxybutanamide

N-(3-methylbutyl)-4-phenoxybutanamide (PubChem CID 2164620) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-phenoxybutanamide
PubChem CID2164620
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-methylbutyl)-4-phenoxybutanamide
SMILESCC(C)CCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(2)10-11-16-15(17)9-6-12-18-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,16,17)
InChIKeyPXQCAZREGQKQBA-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylbutyl)-4-phenoxybutanamide?
The IUPAC name of N-(3-methylbutyl)-4-phenoxybutanamide (CID 2164620) is N-(3-methylbutyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-methylbutyl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-methylbutyl)-4-phenoxybutanamide is CC(C)CCNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-4-phenoxybutanamide?
The InChIKey is PXQCAZREGQKQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(2)10-11-16-15(17)9-6-12-18-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-4-phenoxybutanamide?
N-(3-methylbutyl)-4-phenoxybutanamide has a molecular weight of 249.35 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-phenoxybutanamide is sourced from PubChem (CID 2164620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).