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

C19H20N2O6 — CID 53269984

IUPAC[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H20N2O6/c1-3-26-18(23)12-4-7-14(8-5-12)21-17(22)11-27-19(24)13-6-9-16(25-2)15(20)10-13/h4-10H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyZOACKDVJNGFMFF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.25
Rot. Bonds7

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

[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate (PubChem CID 53269984) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
PubChem CID53269984
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H20N2O6/c1-3-26-18(23)12-4-7-14(8-5-12)21-17(22)11-27-19(24)13-6-9-16(25-2)15(20)10-13/h4-10H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyZOACKDVJNGFMFF-UHFFFAOYSA-N
XLogP2.25
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269931
[2-(3-methylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269959
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501579
5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid
CID 53269993
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991360

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate (CID 53269984) is [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate.
What is the SMILES notation for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The canonical SMILES for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(N)c2)cc1.
What is the InChIKey of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
The InChIKey is ZOACKDVJNGFMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-3-26-18(23)12-4-7-14(8-5-12)21-17(22)11-27-19(24)13-6-9-16(25-2)15(20)10-13/h4-10H,3,11,20H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate?
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate is sourced from PubChem (CID 53269984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).