3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide

C17H26FNO2 — CID 110610148

IUPAC3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
SMILESCOCCCCNC(=O)CC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H26FNO2/c1-13(2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-4-5-11-21-3/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyOVWLXVXAGCBQHG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.50
Rot. Bonds9

About 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide

3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide (PubChem CID 110610148) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
PubChem CID110610148
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
SMILESCOCCCCNC(=O)CC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H26FNO2/c1-13(2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-4-5-11-21-3/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyOVWLXVXAGCBQHG-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.50
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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Related Compounds

N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
CID 110355420
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
CID 110420339
7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide (CID 110610148) is 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide is COCCCCNC(=O)CC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide?
The InChIKey is OVWLXVXAGCBQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13(2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-4-5-11-21-3/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide?
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide has a molecular weight of 295.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide is sourced from PubChem (CID 110610148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).