[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C21H24N2O7 — CID 4215523

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-27-16-7-5-15(6-8-16)21(26)23-12-20(25)30-13-19(24)22-11-14-4-9-17(28-2)18(10-14)29-3/h4-10H,11-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyZPAJHADYZGAQMF-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.30
Rot. Bonds10

About [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 4215523) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID4215523
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-27-16-7-5-15(6-8-16)21(26)23-12-20(25)30-13-19(24)22-11-14-4-9-17(28-2)18(10-14)29-3/h4-10H,11-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyZPAJHADYZGAQMF-UHFFFAOYSA-N
XLogP1.30
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345718
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 4215523) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is ZPAJHADYZGAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-27-16-7-5-15(6-8-16)21(26)23-12-20(25)30-13-19(24)22-11-14-4-9-17(28-2)18(10-14)29-3/h4-10H,11-13H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 416.43 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 4215523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).