2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C20H25NO3 — CID 132651179

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H25NO3/c1-6-17(24-18-9-7-13(2)11-15(18)4)20(22)21-16-12-14(3)8-10-19(16)23-5/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyYVSHILHYHQLNTO-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.42
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 132651179) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID132651179
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H25NO3/c1-6-17(24-18-9-7-13(2)11-15(18)4)20(22)21-16-12-14(3)8-10-19(16)23-5/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyYVSHILHYHQLNTO-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 94013147
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 132651179) is 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is YVSHILHYHQLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-6-17(24-18-9-7-13(2)11-15(18)4)20(22)21-16-12-14(3)8-10-19(16)23-5/h7-12,17H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 132651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).