2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide

C19H23NO2 — CID 53288910

IUPAC2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-17(22-18-11-8-14(3)12-15(18)4)19(21)20-16-9-6-13(2)7-10-16/h6-12,17H,5H2,1-4H3,(H,20,21)
InChIKeySHKSZHFWMSOAAA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide (PubChem CID 53288910) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
PubChem CID53288910
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-5-17(22-18-11-8-14(3)12-15(18)4)19(21)20-16-9-6-13(2)7-10-16/h6-12,17H,5H2,1-4H3,(H,20,21)
InChIKeySHKSZHFWMSOAAA-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 132651398
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide (CID 53288910) is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
The InChIKey is SHKSZHFWMSOAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-17(22-18-11-8-14(3)12-15(18)4)19(21)20-16-9-6-13(2)7-10-16/h6-12,17H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide?
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 53288910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).