4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide

C20H25NO — CID 2847488

IUPAC4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H25NO/c1-14-5-7-19(8-6-14)21-20(22)13-17(4)12-18-10-15(2)9-16(3)11-18/h5-11,17H,12-13H2,1-4H3,(H,21,22)
InChIKeyJHRAMFFQARKSTH-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.82
Rot. Bonds5

About 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide

4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide (PubChem CID 2847488) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide
PubChem CID2847488
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(C)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H25NO/c1-14-5-7-19(8-6-14)21-20(22)13-17(4)12-18-10-15(2)9-16(3)11-18/h5-11,17H,12-13H2,1-4H3,(H,21,22)
InChIKeyJHRAMFFQARKSTH-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 3827535
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate
CID 7321915
4-amino-3-methyl-N-(4-methylphenyl)-4-sulfanylidenebutanamide
CID 82116781
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 2857117
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
(2S)-2-(dimethylamino)-4-(4-methylanilino)-4-oxobutanoic acid
CID 748967

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide (CID 2847488) is 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide is Cc1ccc(NC(=O)CC(C)Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide?
The InChIKey is JHRAMFFQARKSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-5-7-19(8-6-14)21-20(22)13-17(4)12-18-10-15(2)9-16(3)11-18/h5-11,17H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide?
4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide has a molecular weight of 295.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-methyl-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 2847488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).