[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

C17H24N2O5 — CID 8648600

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCNC(=O)CNC(=O)COC(=O)CCc1ccccc1OCC
InChIInChI=1S/C17H24N2O5/c1-3-18-15(20)11-19-16(21)12-24-17(22)10-9-13-7-5-6-8-14(13)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHYFBKIRFHIKVTG-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.81
Rot. Bonds10

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 8648600) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID8648600
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCNC(=O)CNC(=O)COC(=O)CCc1ccccc1OCC
InChIInChI=1S/C17H24N2O5/c1-3-18-15(20)11-19-16(21)12-24-17(22)10-9-13-7-5-6-8-14(13)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHYFBKIRFHIKVTG-UHFFFAOYSA-N
XLogP0.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524402
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581872
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 8648600) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCNC(=O)CNC(=O)COC(=O)CCc1ccccc1OCC.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is HYFBKIRFHIKVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-18-15(20)11-19-16(21)12-24-17(22)10-9-13-7-5-6-8-14(13)23-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 336.39 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 8648600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).