2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide

C20H25NO3 — CID 133231101

IUPAC2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)Oc1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13-10-11-18(14(2)12-13)24-16(4)20(22)21-15(3)17-8-6-7-9-19(17)23-5/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyOVOCJKCCKHWWND-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.96
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide

2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 133231101) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID133231101
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)Oc1ccc(C)cc1C
InChIInChI=1S/C20H25NO3/c1-13-10-11-18(14(2)12-13)24-16(4)20(22)21-15(3)17-8-6-7-9-19(17)23-5/h6-12,15-16H,1-5H3,(H,21,22)
InChIKeyOVOCJKCCKHWWND-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
2-(2,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251795
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 133231101) is 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1C(C)NC(=O)C(C)Oc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is OVOCJKCCKHWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-10-11-18(14(2)12-13)24-16(4)20(22)21-15(3)17-8-6-7-9-19(17)23-5/h6-12,15-16H,1-5H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.96, 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-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133231101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).