methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate

C14H19NO4 — CID 43406380

IUPACmethyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
SMILESCCOc1ccccc1CCC(=O)NCC(=O)OC
InChIInChI=1S/C14H19NO4/c1-3-19-12-7-5-4-6-11(12)8-9-13(16)15-10-14(17)18-2/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyVUHSIPBNRALIHU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds7

About methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate

methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate (PubChem CID 43406380) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
PubChem CID43406380
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
SMILESCCOc1ccccc1CCC(=O)NCC(=O)OC
InChIInChI=1S/C14H19NO4/c1-3-19-12-7-5-4-6-11(12)8-9-13(16)15-10-14(17)18-2/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyVUHSIPBNRALIHU-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-(2-ethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43393251
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate?
The IUPAC name of methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate (CID 43406380) is methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate.
What is the SMILES notation for methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate?
The canonical SMILES for methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate is CCOc1ccccc1CCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate?
The InChIKey is VUHSIPBNRALIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-12-7-5-4-6-11(12)8-9-13(16)15-10-14(17)18-2/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate?
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate is sourced from PubChem (CID 43406380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).