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

C14H19NO6 — CID 2364022

IUPAC[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCCNC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO6/c1-5-15-12(16)8-21-14(17)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyATKNYFUYWNNEBH-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.01
Rot. Bonds7

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

[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (PubChem CID 2364022) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
PubChem CID2364022
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCCNC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO6/c1-5-15-12(16)8-21-14(17)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyATKNYFUYWNNEBH-UHFFFAOYSA-N
XLogP1.01
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201461
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201468
[2-oxo-2-(prop-2-enylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572044
[2-(ethylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 2505134
[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
[2-oxo-2-(pentan-2-ylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 18074008
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201445
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013174
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253748
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8848070
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (CID 2364022) is [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate is CCNC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is ATKNYFUYWNNEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-5-15-12(16)8-21-14(17)9-6-10(18-2)13(20-4)11(7-9)19-3/h6-7H,5,8H2,1-4H3,(H,15,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
[2-(ethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 297.31 g/mol, XLogP of 1.01, 7 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-trimethoxybenzoate is sourced from PubChem (CID 2364022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).