[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate

C20H22N2O7 — CID 55884813

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C(CO)NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O7/c1-27-14-8-9-17(28-2)15(10-14)21-18(24)12-29-20(26)16(11-23)22-19(25)13-6-4-3-5-7-13/h3-10,16,23H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJTPAWODWQADFSD-UHFFFAOYSA-N
MW402.40 g/mol
LogP0.98
Rot. Bonds9

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate (PubChem CID 55884813) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate
PubChem CID55884813
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C(CO)NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O7/c1-27-14-8-9-17(28-2)15(10-14)21-18(24)12-29-20(26)16(11-23)22-19(25)13-6-4-3-5-7-13/h3-10,16,23H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJTPAWODWQADFSD-UHFFFAOYSA-N
XLogP0.98
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate 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

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884745
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 4858411
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 46605778
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579969
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate (CID 55884813) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate is COc1ccc(OC)c(NC(=O)COC(=O)C(CO)NC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate?
The InChIKey is JTPAWODWQADFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7/c1-27-14-8-9-17(28-2)15(10-14)21-18(24)12-29-20(26)16(11-23)22-19(25)13-6-4-3-5-7-13/h3-10,16,23H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate has a molecular weight of 402.40 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate is sourced from PubChem (CID 55884813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).