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

C16H17NO3 — CID 69185504

IUPACmethyl 3-methoxy-4-(2-methylanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2C)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-6-4-5-7-13(11)17-14-9-8-12(16(18)20-3)10-15(14)19-2/h4-10,17H,1-3H3
InChIKeyFAQCJUZAWOFRCW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds4

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

methyl 3-methoxy-4-(2-methylanilino)benzoate (PubChem CID 69185504) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 3-methoxy-4-(2-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(2-methylanilino)benzoate
PubChem CID69185504
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 3-methoxy-4-(2-methylanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2C)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-11-6-4-5-7-13(11)17-14-9-8-12(16(18)20-3)10-15(14)19-2/h4-10,17H,1-3H3
InChIKeyFAQCJUZAWOFRCW-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

Analyze methyl 3-methoxy-4-(2-methylanilino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
methyl 3-azido-4-(2-methoxyanilino)benzoate
CID 169326171
methyl 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-3-methylbenzoate
CID 68915808
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
4-(2-methoxyanilino)-3-methylbenzenecarbothioamide
CID 54934144
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293
3,4-dimethoxy-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 881520
methyl 3-bromo-4-[2-(2-methylanilino)-2-oxoethoxy]benzoate
CID 36531543
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(2-methylanilino)benzoate?
The IUPAC name of methyl 3-methoxy-4-(2-methylanilino)benzoate (CID 69185504) is methyl 3-methoxy-4-(2-methylanilino)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(2-methylanilino)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(2-methylanilino)benzoate is COC(=O)c1ccc(Nc2ccccc2C)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(2-methylanilino)benzoate?
The InChIKey is FAQCJUZAWOFRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-4-5-7-13(11)17-14-9-8-12(16(18)20-3)10-15(14)19-2/h4-10,17H,1-3H3.
What are the key properties of methyl 3-methoxy-4-(2-methylanilino)benzoate?
methyl 3-methoxy-4-(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 3-methoxy-4-(2-methylanilino)benzoate is sourced from PubChem (CID 69185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).