[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate

C13H18N2O5 — CID 61485706

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H18N2O5/c1-18-6-5-15-12(16)8-20-13(17)9-3-4-11(19-2)10(14)7-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)
InChIKeyACTRAMQZLNAIOU-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.20
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate (PubChem CID 61485706) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
PubChem CID61485706
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
SMILESCOCCNC(=O)COC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H18N2O5/c1-18-6-5-15-12(16)8-20-13(17)9-3-4-11(19-2)10(14)7-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)
InChIKeyACTRAMQZLNAIOU-UHFFFAOYSA-N
XLogP0.20
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 42964173
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
[2-(butylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61485782
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 55427640
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269984
[2-(2-methoxyethylamino)-2-oxoethyl] 4-phenylbenzoate
CID 2520547
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2505375

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate (CID 61485706) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate is COCCNC(=O)COC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The InChIKey is ACTRAMQZLNAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-6-5-15-12(16)8-20-13(17)9-3-4-11(19-2)10(14)7-9/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate has a molecular weight of 282.30 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate is sourced from PubChem (CID 61485706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).