4-oxo-N-propyl-4-(4-propylphenyl)butanamide

C16H23NO2 — CID 94273839

IUPAC4-oxo-N-propyl-4-(4-propylphenyl)butanamide
SMILESCCCNC(=O)CCC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C16H23NO2/c1-3-5-13-6-8-14(9-7-13)15(18)10-11-16(19)17-12-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeySEEHTGWROGTCRG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds8

About 4-oxo-N-propyl-4-(4-propylphenyl)butanamide

4-oxo-N-propyl-4-(4-propylphenyl)butanamide (PubChem CID 94273839) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-oxo-N-propyl-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-propyl-4-(4-propylphenyl)butanamide
PubChem CID94273839
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-oxo-N-propyl-4-(4-propylphenyl)butanamide
SMILESCCCNC(=O)CCC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C16H23NO2/c1-3-5-13-6-8-14(9-7-13)15(18)10-11-16(19)17-12-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeySEEHTGWROGTCRG-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 27718932
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
CID 94279162

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propyl-4-(4-propylphenyl)butanamide?
The IUPAC name of 4-oxo-N-propyl-4-(4-propylphenyl)butanamide (CID 94273839) is 4-oxo-N-propyl-4-(4-propylphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-propyl-4-(4-propylphenyl)butanamide?
The canonical SMILES for 4-oxo-N-propyl-4-(4-propylphenyl)butanamide is CCCNC(=O)CCC(=O)c1ccc(CCC)cc1.
What is the InChIKey of 4-oxo-N-propyl-4-(4-propylphenyl)butanamide?
The InChIKey is SEEHTGWROGTCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-13-6-8-14(9-7-13)15(18)10-11-16(19)17-12-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 4-oxo-N-propyl-4-(4-propylphenyl)butanamide?
4-oxo-N-propyl-4-(4-propylphenyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propyl-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 94273839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).