[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate

C20H23NO5 — CID 55366862

IUPAC[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C20H23NO5/c1-15(17-10-6-7-11-18(17)24-2)21-19(22)14-26-20(23)12-13-25-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyASZQGFRGYSNBBP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds9

About [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 55366862) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
PubChem CID55366862
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C20H23NO5/c1-15(17-10-6-7-11-18(17)24-2)21-19(22)14-26-20(23)12-13-25-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyASZQGFRGYSNBBP-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579156
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
2-O-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504459

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate (CID 55366862) is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate is COc1ccccc1C(C)NC(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is ASZQGFRGYSNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-15(17-10-6-7-11-18(17)24-2)21-19(22)14-26-20(23)12-13-25-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate?
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 357.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 55366862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).