N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide

C17H24FNO3 — CID 108795533

IUPACN-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCCCOCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-2-3-12-22-13-4-11-19-17(21)10-9-16(20)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyDUCVBFOQTSJULH-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.11
Rot. Bonds11

About N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 108795533) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID108795533
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCCCOCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-2-3-12-22-13-4-11-19-17(21)10-9-16(20)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyDUCVBFOQTSJULH-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110618521
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 108795533) is N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide is CCCCOCCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is DUCVBFOQTSJULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-2-3-12-22-13-4-11-19-17(21)10-9-16(20)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 309.38 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108795533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).