4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide

C23H28N2O3 — CID 34542973

IUPAC4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)23(28)18-9-11-19(12-10-18)24-22(27)14-13-21(26)20-15-16(3)7-8-17(20)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeySXZACNMTIXQCHG-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.39
Rot. Bonds8

About 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide

4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide (PubChem CID 34542973) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
PubChem CID34542973
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)23(28)18-9-11-19(12-10-18)24-22(27)14-13-21(26)20-15-16(3)7-8-17(20)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeySXZACNMTIXQCHG-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51160449
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
CID 8503741
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
CID 46432968
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide (CID 34542973) is 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide?
The InChIKey is SXZACNMTIXQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-25(6-2)23(28)18-9-11-19(12-10-18)24-22(27)14-13-21(26)20-15-16(3)7-8-17(20)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,27).
What are the key properties of 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide?
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 34542973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).