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

C19H21NO4 — CID 2335731

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-17-9-7-15(8-10-17)11-12-20-18(21)14-24-19(22)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyCVSRHKKOBLSDJN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds8

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

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate (PubChem CID 2335731) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate
PubChem CID2335731
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate
SMILESCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-17-9-7-15(8-10-17)11-12-20-18(21)14-24-19(22)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyCVSRHKKOBLSDJN-UHFFFAOYSA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate 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-phenylacetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate (CID 2335731) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate is COc1ccc(CCNC(=O)COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate?
The InChIKey is CVSRHKKOBLSDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-17-9-7-15(8-10-17)11-12-20-18(21)14-24-19(22)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate has a molecular weight of 327.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 2335731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).