[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C21H23NO8 — CID 2118501

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H23NO8/c1-26-14-5-6-19(29-4)17(10-14)18(23)12-30-20(24)11-22-21(25)13-7-15(27-2)9-16(8-13)28-3/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyPNPISXDLSHKUJP-UHFFFAOYSA-N
MW417.41 g/mol
LogP1.88
Rot. Bonds10

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2118501) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2118501
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H23NO8/c1-26-14-5-6-19(29-4)17(10-14)18(23)12-30-20(24)11-22-21(25)13-7-15(27-2)9-16(8-13)28-3/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyPNPISXDLSHKUJP-UHFFFAOYSA-N
XLogP1.88
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)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

(3,3-Dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2441577
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2120540
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2433535
[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
(7-Methoxy-2-oxochromen-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2108636
(7-methyl-2-oxochromen-4-yl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 2116695
3,5-dimethoxy-N-(2-phenoxyethyl)benzamide
CID 2173139
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2,6-dimethoxybenzoate
CID 2344980
Phenacyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 2358795
[2-(2,5-Dimethoxyphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2436226
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505074

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2118501) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is PNPISXDLSHKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-26-14-5-6-19(29-4)17(10-14)18(23)12-30-20(24)11-22-21(25)13-7-15(27-2)9-16(8-13)28-3/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 417.41 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2118501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).