ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate

C14H19NO6 — CID 60816133

IUPACethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-5-21-11(16)8-15-14(17)9-6-7-10(18-2)13(20-4)12(9)19-3/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyWOXGVHGKWIKCPP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.01
Rot. Bonds7

About ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate

ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate (PubChem CID 60816133) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
PubChem CID60816133
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-5-21-11(16)8-15-14(17)9-6-7-10(18-2)13(20-4)12(9)19-3/h6-7H,5,8H2,1-4H3,(H,15,17)
InChIKeyWOXGVHGKWIKCPP-UHFFFAOYSA-N
XLogP1.01
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate 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

ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3,4-trimethoxybenzamide
CID 90523042
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate (CID 60816133) is ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate?
The InChIKey is WOXGVHGKWIKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-5-21-11(16)8-15-14(17)9-6-7-10(18-2)13(20-4)12(9)19-3/h6-7H,5,8H2,1-4H3,(H,15,17).
What are the key properties of ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate?
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate has a molecular weight of 297.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 60816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).