3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide

C12H17NO5 — CID 171869417

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCCOc1ccc(C(O)C(O)C(N)=O)cc1OC
InChIInChI=1S/C12H17NO5/c1-3-18-8-5-4-7(6-9(8)17-2)10(14)11(15)12(13)16/h4-6,10-11,14-15H,3H2,1-2H3,(H2,13,16)
InChIKeyZBYSXJZURYPLEC-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.03
Rot. Bonds6

About 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide

3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171869417) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171869417
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCCOc1ccc(C(O)C(O)C(N)=O)cc1OC
InChIInChI=1S/C12H17NO5/c1-3-18-8-5-4-7(6-9(8)17-2)10(14)11(15)12(13)16/h4-6,10-11,14-15H,3H2,1-2H3,(H2,13,16)
InChIKeyZBYSXJZURYPLEC-UHFFFAOYSA-N
XLogP-0.03
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]azanium
CID 4201976
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide (CID 171869417) is 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide is CCOc1ccc(C(O)C(O)C(N)=O)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is ZBYSXJZURYPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-3-18-8-5-4-7(6-9(8)17-2)10(14)11(15)12(13)16/h4-6,10-11,14-15H,3H2,1-2H3,(H2,13,16).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide?
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 255.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).