methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate

C13H17NO5 — CID 84578757

IUPACmethyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C13H17NO5/c1-17-10-3-5-11(6-4-10)19-8-7-14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyJGTXBIKLSUHVEC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.75
Rot. Bonds7

About methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate

methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate (PubChem CID 84578757) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
PubChem CID84578757
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C13H17NO5/c1-17-10-3-5-11(6-4-10)19-8-7-14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyJGTXBIKLSUHVEC-UHFFFAOYSA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
CID 108951370
N-[2-(4-methoxyphenoxy)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978061
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate (CID 84578757) is methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate is COC(=O)CC(=O)NCCOc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate?
The InChIKey is JGTXBIKLSUHVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-10-3-5-11(6-4-10)19-8-7-14-12(15)9-13(16)18-2/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate?
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate has a molecular weight of 267.28 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate is sourced from PubChem (CID 84578757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).