[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate

C19H19NO6 — CID 2436226

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBERCGIUUKRYMOM-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.86
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2436226) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2436226
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBERCGIUUKRYMOM-UHFFFAOYSA-N
XLogP1.86
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate 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

(3,3-Dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2441577
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(2-ethoxybenzoyl)amino]acetate
CID 2363865
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 4086904
N-[(2-methoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 4882049
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 5214804
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 16287058
N-benzyl-4-oxo-4H-chromene-2-carboxamide
CID 805307
N-(2-furylmethyl)-2-[(4-oxo-2-phenyl-4H-chromen-6-yl)oxy]acetamide
CID 1179211
[2-(benzylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2092426
(7-Methoxy-2-oxochromen-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2108636
[2-(2,5-Dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2118501

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate (CID 2436226) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate is COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is BERCGIUUKRYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-14-8-9-17(25-2)15(10-14)16(21)12-26-18(22)11-20-19(23)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 357.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2436226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).