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

C13H19NO — CID 82077150

IUPAC3-(2,4-dimethylphenyl)-N-methylbutanamide
SMILESCNC(=O)CC(C)c1ccc(C)cc1C
InChIInChI=1S/C13H19NO/c1-9-5-6-12(10(2)7-9)11(3)8-13(15)14-4/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyVEIKNSDTXSWMFG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.54
Rot. Bonds3

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

3-(2,4-dimethylphenyl)-N-methylbutanamide (PubChem CID 82077150) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-methylbutanamide
PubChem CID82077150
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,4-dimethylphenyl)-N-methylbutanamide
SMILESCNC(=O)CC(C)c1ccc(C)cc1C
InChIInChI=1S/C13H19NO/c1-9-5-6-12(10(2)7-9)11(3)8-13(15)14-4/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyVEIKNSDTXSWMFG-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
CID 82086631
3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 82089980
3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
4-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-methylbutanamide
CID 78953868
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
3-(2-chloro-4-methylanilino)-N-methylbutanamide
CID 115929890
2-(2,4-dimethylphenyl)propanehydrazide
CID 116843832

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-methylbutanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-methylbutanamide (CID 82077150) is 3-(2,4-dimethylphenyl)-N-methylbutanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-methylbutanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-methylbutanamide is CNC(=O)CC(C)c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-methylbutanamide?
The InChIKey is VEIKNSDTXSWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-5-6-12(10(2)7-9)11(3)8-13(15)14-4/h5-7,11H,8H2,1-4H3,(H,14,15).
What are the key properties of 3-(2,4-dimethylphenyl)-N-methylbutanamide?
3-(2,4-dimethylphenyl)-N-methylbutanamide has a molecular weight of 205.30 g/mol, XLogP of 2.54, 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-methylbutanamide is sourced from PubChem (CID 82077150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).