[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate

C17H25NO6 — CID 2505134

IUPAC[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate
SMILESCCNC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C17H25NO6/c1-5-18-15(19)11-24-17(20)12-9-13(21-6-2)16(23-8-4)14(10-12)22-7-3/h9-10H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyXZJOKFRLOPADQM-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.18
Rot. Bonds10

About [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate

[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate (PubChem CID 2505134) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate
PubChem CID2505134
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate
SMILESCCNC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C17H25NO6/c1-5-18-15(19)11-24-17(20)12-9-13(21-6-2)16(23-8-4)14(10-12)22-7-3/h9-10H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyXZJOKFRLOPADQM-UHFFFAOYSA-N
XLogP2.18
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2364022
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 7860383
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 50929498
[2-(2,6-diethylanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 4139968
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 55397617
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 40823928
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-triethoxybenzoate
CID 7860421
[2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557938
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 3326955
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8848070

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate (CID 2505134) is [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate is CCNC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate?
The InChIKey is XZJOKFRLOPADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6/c1-5-18-15(19)11-24-17(20)12-9-13(21-6-2)16(23-8-4)14(10-12)22-7-3/h9-10H,5-8,11H2,1-4H3,(H,18,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate?
[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate has a molecular weight of 339.39 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate is sourced from PubChem (CID 2505134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).