[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

C22H27NO7 — CID 71823029

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C22H27NO7/c1-5-28-18-9-7-15(11-20(18)29-6-2)12-22(25)30-14-21(24)23-16-8-10-17(26-3)19(13-16)27-4/h7-11,13H,5-6,12,14H2,1-4H3,(H,23,24)
InChIKeyPHKSLIQBPXFOED-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.23
Rot. Bonds11

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (PubChem CID 71823029) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
PubChem CID71823029
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C22H27NO7/c1-5-28-18-9-7-15(11-20(18)29-6-2)12-22(25)30-14-21(24)23-16-8-10-17(26-3)19(13-16)27-4/h7-11,13H,5-6,12,14H2,1-4H3,(H,23,24)
InChIKeyPHKSLIQBPXFOED-UHFFFAOYSA-N
XLogP3.23
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)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-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71822991
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 993572
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968961
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7604330
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate (CID 71823029) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
The InChIKey is PHKSLIQBPXFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7/c1-5-28-18-9-7-15(11-20(18)29-6-2)12-22(25)30-14-21(24)23-16-8-10-17(26-3)19(13-16)27-4/h7-11,13H,5-6,12,14H2,1-4H3,(H,23,24).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate has a molecular weight of 417.46 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate is sourced from PubChem (CID 71823029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).