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

C21H25NO7 — CID 7766111

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H25NO7/c1-25-16-7-5-14(9-18(16)27-3)11-21(24)29-13-20(23)22-12-15-6-8-17(26-2)19(10-15)28-4/h5-10H,11-13H2,1-4H3,(H,22,23)
InChIKeyMWNUAKRLZQKTPW-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.12
Rot. Bonds10

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

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 7766111) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID7766111
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H25NO7/c1-25-16-7-5-14(9-18(16)27-3)11-21(24)29-13-20(23)22-12-15-6-8-17(26-2)19(10-15)28-4/h5-10H,11-13H2,1-4H3,(H,22,23)
InChIKeyMWNUAKRLZQKTPW-UHFFFAOYSA-N
XLogP2.12
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)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

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2436664
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201063
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 7766111) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is MWNUAKRLZQKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7/c1-25-16-7-5-14(9-18(16)27-3)11-21(24)29-13-20(23)22-12-15-6-8-17(26-2)19(10-15)28-4/h5-10H,11-13H2,1-4H3,(H,22,23).
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 403.43 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 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-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 7766111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).