ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate

C14H19NO5 — CID 47257620

IUPACethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)9-15-14(17)10(2)20-12-7-5-11(18-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyXTECIIXMRKYPLS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds7

About ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate

ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate (PubChem CID 47257620) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
PubChem CID47257620
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)9-15-14(17)10(2)20-12-7-5-11(18-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyXTECIIXMRKYPLS-UHFFFAOYSA-N
XLogP1.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
CID 46481594
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
CID 57250494
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate (CID 47257620) is ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate is CCOC(=O)CNC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate?
The InChIKey is XTECIIXMRKYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-19-13(16)9-15-14(17)10(2)20-12-7-5-11(18-3)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate?
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate is sourced from PubChem (CID 47257620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).