(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide

C20H25NO3 — CID 99133137

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO3/c1-5-18(24-19-12-7-14(3)13-15(19)4)20(22)21-16-8-10-17(11-9-16)23-6-2/h7-13,18H,5-6H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyFBKOVHYIDJAYGL-SFHVURJKSA-N
MW327.42 g/mol
LogP4.50
Rot. Bonds7

About (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide

(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide (PubChem CID 99133137) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
PubChem CID99133137
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO3/c1-5-18(24-19-12-7-14(3)13-15(19)4)20(22)21-16-8-10-17(11-9-16)23-6-2/h7-13,18H,5-6H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyFBKOVHYIDJAYGL-SFHVURJKSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
(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-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide (CID 99133137) is (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide?
The InChIKey is FBKOVHYIDJAYGL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-18(24-19-12-7-14(3)13-15(19)4)20(22)21-16-8-10-17(11-9-16)23-6-2/h7-13,18H,5-6H2,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 99133137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).