ethyl 5-amino-2-(3-methoxyanilino)benzoate

C16H18N2O3 — CID 61306565

IUPACethyl 5-amino-2-(3-methoxyanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)14-9-11(17)7-8-15(14)18-12-5-4-6-13(10-12)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyDDGXKAWWTGXSFL-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.20
Rot. Bonds5

About ethyl 5-amino-2-(3-methoxyanilino)benzoate

ethyl 5-amino-2-(3-methoxyanilino)benzoate (PubChem CID 61306565) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-methoxyanilino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-methoxyanilino)benzoate
PubChem CID61306565
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 5-amino-2-(3-methoxyanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1cccc(OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)14-9-11(17)7-8-15(14)18-12-5-4-6-13(10-12)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyDDGXKAWWTGXSFL-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 5-amino-2-(3-methylanilino)benzoate
CID 61307109
ethyl 5-amino-2-(3-ethylanilino)benzoate
CID 63425793
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
[5-amino-2-(3-methoxyanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100648504
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 2-[[4-(3-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930597
ethyl 5-amino-2-methoxybenzoate
CID 22180184

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-methoxyanilino)benzoate?
The IUPAC name of ethyl 5-amino-2-(3-methoxyanilino)benzoate (CID 61306565) is ethyl 5-amino-2-(3-methoxyanilino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(3-methoxyanilino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(3-methoxyanilino)benzoate is CCOC(=O)c1cc(N)ccc1Nc1cccc(OC)c1.
What is the InChIKey of ethyl 5-amino-2-(3-methoxyanilino)benzoate?
The InChIKey is DDGXKAWWTGXSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16(19)14-9-11(17)7-8-15(14)18-12-5-4-6-13(10-12)20-2/h4-10,18H,3,17H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(3-methoxyanilino)benzoate?
ethyl 5-amino-2-(3-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 5-amino-2-(3-methoxyanilino)benzoate is sourced from PubChem (CID 61306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).