ethyl 3-amino-2-(2-methoxyanilino)benzoate

C16H18N2O3 — CID 115933822

IUPACethyl 3-amino-2-(2-methoxyanilino)benzoate
SMILESCCOC(=O)c1cccc(N)c1Nc1ccccc1OC
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)11-7-6-8-12(17)15(11)18-13-9-4-5-10-14(13)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyMFYQCYKNPQHHET-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.20
Rot. Bonds5

About ethyl 3-amino-2-(2-methoxyanilino)benzoate

ethyl 3-amino-2-(2-methoxyanilino)benzoate (PubChem CID 115933822) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-methoxyanilino)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-methoxyanilino)benzoate
PubChem CID115933822
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 3-amino-2-(2-methoxyanilino)benzoate
SMILESCCOC(=O)c1cccc(N)c1Nc1ccccc1OC
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)11-7-6-8-12(17)15(11)18-13-9-4-5-10-14(13)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyMFYQCYKNPQHHET-UHFFFAOYSA-N
XLogP3.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-(2-methylanilino)benzoate
CID 115934055
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 3-amino-2-(2,6-dibromoanilino)benzoate
CID 107602732
ethyl 3-amino-2-(5-bromo-2-methylanilino)benzoate
CID 115934212
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 3-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637830
ethyl 3-amino-2-(2-bromo-5-chloroanilino)benzoate
CID 115935390
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 3-amino-2-(pentan-3-ylamino)benzoate
CID 112577629
methyl 3-amino-2-(3-bromo-2-methylanilino)benzoate
CID 107637742
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-methoxyanilino)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-methoxyanilino)benzoate (CID 115933822) is ethyl 3-amino-2-(2-methoxyanilino)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-methoxyanilino)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-methoxyanilino)benzoate is CCOC(=O)c1cccc(N)c1Nc1ccccc1OC.
What is the InChIKey of ethyl 3-amino-2-(2-methoxyanilino)benzoate?
The InChIKey is MFYQCYKNPQHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16(19)11-7-6-8-12(17)15(11)18-13-9-4-5-10-14(13)20-2/h4-10,18H,3,17H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(2-methoxyanilino)benzoate?
ethyl 3-amino-2-(2-methoxyanilino)benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-methoxyanilino)benzoate is sourced from PubChem (CID 115933822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).