2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide

C23H28N2O3 — CID 34731957

IUPAC2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C23H28N2O3/c1-15(2)14-24-23(28)19-7-5-6-8-20(19)25-22(27)12-11-21(26)18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyBOWPXLLPWYQPID-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.29
Rot. Bonds8

About 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide

2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 34731957) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID34731957
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C23H28N2O3/c1-15(2)14-24-23(28)19-7-5-6-8-20(19)25-22(27)12-11-21(26)18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyBOWPXLLPWYQPID-UHFFFAOYSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55840290
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide (CID 34731957) is 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C.
What is the InChIKey of 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is BOWPXLLPWYQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(2)14-24-23(28)19-7-5-6-8-20(19)25-22(27)12-11-21(26)18-10-9-16(3)17(4)13-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide?
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 34731957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).