[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate

C14H19NO6 — CID 2504659

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO6/c1-18-7-6-15-13(16)9-21-14(17)11-5-4-10(19-2)8-12(11)20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyYYHNQLMVGOFYMD-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.62
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate (PubChem CID 2504659) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
PubChem CID2504659
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO6/c1-18-7-6-15-13(16)9-21-14(17)11-5-4-10(19-2)8-12(11)20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyYYHNQLMVGOFYMD-UHFFFAOYSA-N
XLogP0.62
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,4-dimethoxybenzoate
CID 2436819
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8872230
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504725
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663640
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-dimethoxybenzoate
CID 50929549
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203564
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-(2-methoxyethylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2438182
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate (CID 2504659) is [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate is COCCNC(=O)COC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
The InChIKey is YYHNQLMVGOFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-18-7-6-15-13(16)9-21-14(17)11-5-4-10(19-2)8-12(11)20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate has a molecular weight of 297.31 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2504659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).