3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide

C16H18N2O2 — CID 43601854

IUPAC3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2ccc(C)c(O)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)19)16(20)18-14-5-3-4-12(8-14)10-17-2/h3-9,17,19H,10H2,1-2H3,(H,18,20)
InChIKeyWDDYWSHNELKFMA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds4

About 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide

3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601854) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID43601854
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2ccc(C)c(O)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)19)16(20)18-14-5-3-4-12(8-14)10-17-2/h3-9,17,19H,10H2,1-2H3,(H,18,20)
InChIKeyWDDYWSHNELKFMA-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide
CID 107732038
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide (CID 43601854) is 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide is CNCc1cccc(NC(=O)c2ccc(C)c(O)c2)c1.
What is the InChIKey of 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is WDDYWSHNELKFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)19)16(20)18-14-5-3-4-12(8-14)10-17-2/h3-9,17,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide?
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).