[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

C16H21NO7 — CID 7856618

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC
InChIInChI=1S/C16H21NO7/c1-3-21-12-7-5-6-8-13(12)23-10-9-15(19)24-11-14(18)17-16(20)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20)
InChIKeyXXEUATJKNZMXNO-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.67
Rot. Bonds9

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (PubChem CID 7856618) has the molecular formula C16H21NO7 and a molecular weight of 339.34 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
PubChem CID7856618
Molecular FormulaC16H21NO7
Molecular Weight339.34 g/mol
Exact Mass339.13
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC
InChIInChI=1S/C16H21NO7/c1-3-21-12-7-5-6-8-13(12)23-10-9-15(19)24-11-14(18)17-16(20)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20)
InChIKeyXXEUATJKNZMXNO-UHFFFAOYSA-N
XLogP1.67
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856573
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (CID 7856618) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is CCOC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The InChIKey is XXEUATJKNZMXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO7/c1-3-21-12-7-5-6-8-13(12)23-10-9-15(19)24-11-14(18)17-16(20)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate has a molecular weight of 339.34 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is sourced from PubChem (CID 7856618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).