ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate

C14H19NO5 — CID 47437768

IUPACethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C14H19NO5/c1-3-19-14(17)7-8-15-13(16)10-20-12-6-4-5-11(9-12)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyHIUMISNHIVVIRW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds8

About ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate

ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 47437768) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID47437768
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C14H19NO5/c1-3-19-14(17)7-8-15-13(16)10-20-12-6-4-5-11(9-12)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyHIUMISNHIVVIRW-UHFFFAOYSA-N
XLogP1.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 94870746

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate (CID 47437768) is ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)COc1cccc(OC)c1.
What is the InChIKey of ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is HIUMISNHIVVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-19-14(17)7-8-15-13(16)10-20-12-6-4-5-11(9-12)18-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate?
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 281.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 47437768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).