4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide

C21H25NO2 — CID 108796274

IUPAC4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)18-7-5-6-16(4)21(18)22-20(24)13-12-19(23)17-10-8-15(3)9-11-17/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyNOLWBWBIEIRCLE-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.03
Rot. Bonds6

About 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide

4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide (PubChem CID 108796274) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
PubChem CID108796274
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)18-7-5-6-16(4)21(18)22-20(24)13-12-19(23)17-10-8-15(3)9-11-17/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyNOLWBWBIEIRCLE-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764446
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 78761169
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide (CID 108796274) is 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide?
The InChIKey is NOLWBWBIEIRCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)18-7-5-6-16(4)21(18)22-20(24)13-12-19(23)17-10-8-15(3)9-11-17/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide?
4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide has a molecular weight of 323.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).