4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide

C19H21NO2 — CID 847997

IUPAC4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C19H21NO2/c1-13-8-9-16(12-15(13)3)18(21)10-11-19(22)20-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZZXZRSPWSLUWNQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.21
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide (PubChem CID 847997) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
PubChem CID847997
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C19H21NO2/c1-13-8-9-16(12-15(13)3)18(21)10-11-19(22)20-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZZXZRSPWSLUWNQ-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide (CID 847997) is 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is ZZXZRSPWSLUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-8-9-16(12-15(13)3)18(21)10-11-19(22)20-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 295.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 847997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).