3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

C20H25NO2 — CID 17034730

IUPAC3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-17-8-6-7-16(4)20(17)21-19(22)9-10-23-18-12-14(2)11-15(3)13-18/h6-8,11-13H,5,9-10H2,1-4H3,(H,21,22)
InChIKeySFNFHOQFGGLYJW-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.58
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 17034730) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID17034730
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-17-8-6-7-16(4)20(17)21-19(22)9-10-23-18-12-14(2)11-15(3)13-18/h6-8,11-13H,5,9-10H2,1-4H3,(H,21,22)
InChIKeySFNFHOQFGGLYJW-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
3-(3,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 26687947
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (CID 17034730) is 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is SFNFHOQFGGLYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-17-8-6-7-16(4)20(17)21-19(22)9-10-23-18-12-14(2)11-15(3)13-18/h6-8,11-13H,5,9-10H2,1-4H3,(H,21,22).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 17034730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).