3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide

C16H25NO — CID 82086631

IUPAC3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1ccc(C)cc1C)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-7-8-13(12(2)9-11)14(16(3,4)5)10-15(18)17-6/h7-9,14H,10H2,1-6H3,(H,17,18)
InChIKeyWBHHWZVIDZRECN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.57
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide

3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide (PubChem CID 82086631) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
PubChem CID82086631
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1ccc(C)cc1C)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-7-8-13(12(2)9-11)14(16(3,4)5)10-15(18)17-6/h7-9,14H,10H2,1-6H3,(H,17,18)
InChIKeyWBHHWZVIDZRECN-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 82089980
3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide (CID 82086631) is 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide is CNC(=O)CC(c1ccc(C)cc1C)C(C)(C)C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide?
The InChIKey is WBHHWZVIDZRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-8-13(12(2)9-11)14(16(3,4)5)10-15(18)17-6/h7-9,14H,10H2,1-6H3,(H,17,18).
What are the key properties of 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide?
3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 82086631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).