methyl 4-(3-methoxy-2-methylanilino)benzoate

C16H17NO3 — CID 69185509

IUPACmethyl 4-(3-methoxy-2-methylanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(OC)c2C)cc1
InChIInChI=1S/C16H17NO3/c1-11-14(5-4-6-15(11)19-2)17-13-9-7-12(8-10-13)16(18)20-3/h4-10,17H,1-3H3
InChIKeyUZCGGWDCFNFHRY-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-(3-methoxy-2-methylanilino)benzoate

methyl 4-(3-methoxy-2-methylanilino)benzoate (PubChem CID 69185509) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 4-(3-methoxy-2-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-2-methylanilino)benzoate
PubChem CID69185509
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 4-(3-methoxy-2-methylanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(OC)c2C)cc1
InChIInChI=1S/C16H17NO3/c1-11-14(5-4-6-15(11)19-2)17-13-9-7-12(8-10-13)16(18)20-3/h4-10,17H,1-3H3
InChIKeyUZCGGWDCFNFHRY-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293
methyl 4-(2-aminoanilino)benzoate
CID 68667054
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
4-(2,3-dimethylanilino)benzoyl chloride
CID 71393538
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
methyl 4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112904543
methyl 3-methoxy-4-(2-methylanilino)benzoate
CID 69185504
methyl 4-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476605
methyl 4-(3-chloro-4-methoxyanilino)benzoate
CID 175119032

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-2-methylanilino)benzoate?
The IUPAC name of methyl 4-(3-methoxy-2-methylanilino)benzoate (CID 69185509) is methyl 4-(3-methoxy-2-methylanilino)benzoate.
What is the SMILES notation for methyl 4-(3-methoxy-2-methylanilino)benzoate?
The canonical SMILES for methyl 4-(3-methoxy-2-methylanilino)benzoate is COC(=O)c1ccc(Nc2cccc(OC)c2C)cc1.
What is the InChIKey of methyl 4-(3-methoxy-2-methylanilino)benzoate?
The InChIKey is UZCGGWDCFNFHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-14(5-4-6-15(11)19-2)17-13-9-7-12(8-10-13)16(18)20-3/h4-10,17H,1-3H3.
What are the key properties of methyl 4-(3-methoxy-2-methylanilino)benzoate?
methyl 4-(3-methoxy-2-methylanilino)benzoate has a molecular weight of 271.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxy-2-methylanilino)benzoate is sourced from PubChem (CID 69185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).