3-(2,6-dimethoxyphenyl)-N-ethylpropanamide

C13H19NO3 — CID 100789335

IUPAC3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1c(OC)cccc1OC
InChIInChI=1S/C13H19NO3/c1-4-14-13(15)9-8-10-11(16-2)6-5-7-12(10)17-3/h5-7H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyGLPJFZVVNQVZDQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds6

About 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide

3-(2,6-dimethoxyphenyl)-N-ethylpropanamide (PubChem CID 100789335) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
PubChem CID100789335
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1c(OC)cccc1OC
InChIInChI=1S/C13H19NO3/c1-4-14-13(15)9-8-10-11(16-2)6-5-7-12(10)17-3/h5-7H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyGLPJFZVVNQVZDQ-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
ethyl 2-[4-[3-(2,6-dimethoxyphenyl)propanoylamino]phenyl]acetate
CID 100789290
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide (CID 100789335) is 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide is CCNC(=O)CCc1c(OC)cccc1OC.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide?
The InChIKey is GLPJFZVVNQVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14-13(15)9-8-10-11(16-2)6-5-7-12(10)17-3/h5-7H,4,8-9H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide?
3-(2,6-dimethoxyphenyl)-N-ethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 100789335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).