[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate

C25H25NO5 — CID 9202646

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccccc1CCNC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H25NO5/c1-29-22-13-7-5-11-20(22)15-16-26-24(27)18-31-25(28)21-12-6-8-14-23(21)30-17-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyWAWHINCMADOZCU-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.79
Rot. Bonds10

About [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 9202646) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID9202646
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccccc1CCNC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H25NO5/c1-29-22-13-7-5-11-20(22)15-16-26-24(27)18-31-25(28)21-12-6-8-14-23(21)30-17-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyWAWHINCMADOZCU-UHFFFAOYSA-N
XLogP3.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013830
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-phenylmethoxybenzoate
CID 28562265
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290680
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 7976840
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 9197258

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate (CID 9202646) is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate is COc1ccccc1CCNC(=O)COC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is WAWHINCMADOZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-29-22-13-7-5-11-20(22)15-16-26-24(27)18-31-25(28)21-12-6-8-14-23(21)30-17-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 419.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 9202646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).