ethyl 2-(4-methoxyanilino)benzoate

C16H17NO3 — CID 13424427

IUPACethyl 2-(4-methoxyanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C16H17NO3/c1-3-20-16(18)14-6-4-5-7-15(14)17-12-8-10-13(19-2)11-9-12/h4-11,17H,3H2,1-2H3
InChIKeyPGEAAYPGBFRMCG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.62
Rot. Bonds5

About ethyl 2-(4-methoxyanilino)benzoate

ethyl 2-(4-methoxyanilino)benzoate (PubChem CID 13424427) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)benzoate
PubChem CID13424427
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-(4-methoxyanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C16H17NO3/c1-3-20-16(18)14-6-4-5-7-15(14)17-12-8-10-13(19-2)11-9-12/h4-11,17H,3H2,1-2H3
InChIKeyPGEAAYPGBFRMCG-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[[2-(4-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930767
ethyl 2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930710
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
ethyl 2-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967384
ethyl 2-[[3-(4-methoxyanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112967449
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
ethyl 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)benzoate?
The IUPAC name of ethyl 2-(4-methoxyanilino)benzoate (CID 13424427) is ethyl 2-(4-methoxyanilino)benzoate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)benzoate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)benzoate is CCOC(=O)c1ccccc1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyanilino)benzoate?
The InChIKey is PGEAAYPGBFRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-20-16(18)14-6-4-5-7-15(14)17-12-8-10-13(19-2)11-9-12/h4-11,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyanilino)benzoate?
ethyl 2-(4-methoxyanilino)benzoate has a molecular weight of 271.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)benzoate is sourced from PubChem (CID 13424427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).