3-(3-ethylphenoxy)-N-methylpropanamide

C12H17NO2 — CID 64763281

IUPAC3-(3-ethylphenoxy)-N-methylpropanamide
SMILESCCc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C12H17NO2/c1-3-10-5-4-6-11(9-10)15-8-7-12(14)13-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyXLOKRCSSZSUAMJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds5

About 3-(3-ethylphenoxy)-N-methylpropanamide

3-(3-ethylphenoxy)-N-methylpropanamide (PubChem CID 64763281) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-N-methylpropanamide
PubChem CID64763281
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(3-ethylphenoxy)-N-methylpropanamide
SMILESCCc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C12H17NO2/c1-3-10-5-4-6-11(9-10)15-8-7-12(14)13-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyXLOKRCSSZSUAMJ-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
7-(3-ethylphenoxy)-N-hydroxyheptanamide
CID 39364757
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-N-methylpropanamide?
The IUPAC name of 3-(3-ethylphenoxy)-N-methylpropanamide (CID 64763281) is 3-(3-ethylphenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(3-ethylphenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(3-ethylphenoxy)-N-methylpropanamide is CCc1cccc(OCCC(=O)NC)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-N-methylpropanamide?
The InChIKey is XLOKRCSSZSUAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10-5-4-6-11(9-10)15-8-7-12(14)13-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-ethylphenoxy)-N-methylpropanamide?
3-(3-ethylphenoxy)-N-methylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 64763281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).