4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide

C20H25NO2 — CID 3827535

IUPAC4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)CC(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-15(2)11-17(10-14)12-16(3)13-20(22)21-18-7-5-6-8-19(18)23-4/h5-11,16H,12-13H2,1-4H3,(H,21,22)
InChIKeyXJYBAKSVSQKCNC-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.52
Rot. Bonds6

About 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide

4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide (PubChem CID 3827535) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
PubChem CID3827535
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1NC(=O)CC(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-15(2)11-17(10-14)12-16(3)13-20(22)21-18-7-5-6-8-19(18)23-4/h5-11,16H,12-13H2,1-4H3,(H,21,22)
InChIKeyXJYBAKSVSQKCNC-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 107680223
N-(2-amino-5-methoxyphenyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119420675
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
2-benzyl-4-(2-methoxy-4-methylanilino)-4-oxobutanoic acid
CID 166273937

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide (CID 3827535) is 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide is COc1ccccc1NC(=O)CC(C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is XJYBAKSVSQKCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-9-15(2)11-17(10-14)12-16(3)13-20(22)21-18-7-5-6-8-19(18)23-4/h5-11,16H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide?
4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 3827535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).