N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide

C21H25NO2 — CID 9314118

IUPACN-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H25NO2/c1-4-5-17-8-10-18(11-9-17)20(23)12-13-21(24)22-19-14-15(2)6-7-16(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyKIJCPQPCPZNXTE-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.86
Rot. Bonds7

About N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide

N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 9314118) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID9314118
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H25NO2/c1-4-5-17-8-10-18(11-9-17)20(23)12-13-21(24)22-19-14-15(2)6-7-16(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyKIJCPQPCPZNXTE-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)-4-oxobutanamide
CID 108807985
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86883923
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide (CID 9314118) is N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is KIJCPQPCPZNXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-5-17-8-10-18(11-9-17)20(23)12-13-21(24)22-19-14-15(2)6-7-16(19)3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide?
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 323.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 9314118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).