[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C20H23NO5 — CID 2335787

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-24-17-7-3-15(4-8-17)11-12-21-19(22)14-26-20(23)13-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeySZFFOBTYPKCGGD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds9

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2335787) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2335787
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-24-17-7-3-15(4-8-17)11-12-21-19(22)14-26-20(23)13-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeySZFFOBTYPKCGGD-UHFFFAOYSA-N
XLogP2.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2335787) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is SZFFOBTYPKCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-17-7-3-15(4-8-17)11-12-21-19(22)14-26-20(23)13-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 357.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2335787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).