methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate

C17H19NO3 — CID 66704186

IUPACmethyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate
SMILESCOC(=O)c1cccc(CN(C)c2ccc(O)cc2C)c1
InChIInChI=1S/C17H19NO3/c1-12-9-15(19)7-8-16(12)18(2)11-13-5-4-6-14(10-13)17(20)21-3/h4-10,19H,11H2,1-3H3
InChIKeyOZYAYUCDARXTOH-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds4

About methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate

methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate (PubChem CID 66704186) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate
PubChem CID66704186
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate
SMILESCOC(=O)c1cccc(CN(C)c2ccc(O)cc2C)c1
InChIInChI=1S/C17H19NO3/c1-12-9-15(19)7-8-16(12)18(2)11-13-5-4-6-14(10-13)17(20)21-3/h4-10,19H,11H2,1-3H3
InChIKeyOZYAYUCDARXTOH-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]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

methyl 3-[[(2-chloroacetyl)-methylamino]methyl]benzoate
CID 167785588
methyl 3-[[butyl(methyl)amino]methyl]benzoate
CID 78791084
(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
CID 78762185
CID 70265363
CID 70265363
methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 95202904
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
methyl 3-propylbenzoate
CID 12861009
methyl 3-[(methyldiazenyl)methyl]benzoate
CID 123355935
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
4-[(3-fluorophenyl)methyl-methylamino]-3-methylbenzoic acid
CID 62121477
methyl 3-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]benzoate
CID 14995040

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate?
The IUPAC name of methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate (CID 66704186) is methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate.
What is the SMILES notation for methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate?
The canonical SMILES for methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate is COC(=O)c1cccc(CN(C)c2ccc(O)cc2C)c1.
What is the InChIKey of methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate?
The InChIKey is OZYAYUCDARXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-9-15(19)7-8-16(12)18(2)11-13-5-4-6-14(10-13)17(20)21-3/h4-10,19H,11H2,1-3H3.
What are the key properties of methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate?
methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate is sourced from PubChem (CID 66704186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).