3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide

C14H21NO3 — CID 58655197

IUPAC3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H21NO3/c1-4-15-14(16)9-7-11-6-8-12(17-3)13(10-11)18-5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16)
InChIKeyPDYYVVJRPPAWNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds7

About 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide

3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide (PubChem CID 58655197) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
PubChem CID58655197
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H21NO3/c1-4-15-14(16)9-7-11-6-8-12(17-3)13(10-11)18-5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16)
InChIKeyPDYYVVJRPPAWNO-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3-ethoxy-4-prop-2-enoxyphenyl)-N-ethylpropanamide
CID 58655109
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(4-but-3-yn-2-yloxy-3-ethoxyphenyl)-N-ethylpropanamide
CID 58655161
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide (CID 58655197) is 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide is CCNC(=O)CCc1ccc(OC)c(OCC)c1.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide?
The InChIKey is PDYYVVJRPPAWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15-14(16)9-7-11-6-8-12(17-3)13(10-11)18-5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide?
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide is sourced from PubChem (CID 58655197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).