[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate

C20H23NO5 — CID 31883595

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-17-9-8-16(18(13-17)25-2)12-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,22)
InChIKeyBIKFPIJEQYNUNV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 31883595) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID31883595
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-17-9-8-16(18(13-17)25-2)12-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,22)
InChIKeyBIKFPIJEQYNUNV-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

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210258
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9101509
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367363
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate (CID 31883595) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)c(OC)c1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is BIKFPIJEQYNUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-17-9-8-16(18(13-17)25-2)12-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)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-oxo-2-(2-phenylethylamino)ethyl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 31883595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).