3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide

C16H18N2O3 — CID 43664707

IUPAC3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2cccc(C(N)=O)c2)c1O
InChIInChI=1S/C16H18N2O3/c1-21-14-7-3-6-13(15(14)19)10-18-9-11-4-2-5-12(8-11)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyCGZHJMYIGVEMLY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.79
Rot. Bonds6

About 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide

3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide (PubChem CID 43664707) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
PubChem CID43664707
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
SMILESCOc1cccc(CNCc2cccc(C(N)=O)c2)c1O
InChIInChI=1S/C16H18N2O3/c1-21-14-7-3-6-13(15(14)19)10-18-9-11-4-2-5-12(8-11)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyCGZHJMYIGVEMLY-UHFFFAOYSA-N
XLogP1.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
CID 115904619
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111217405
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
ethyl 3-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047333
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide (CID 43664707) is 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide is COc1cccc(CNCc2cccc(C(N)=O)c2)c1O.
What is the InChIKey of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide?
The InChIKey is CGZHJMYIGVEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-7-3-6-13(15(14)19)10-18-9-11-4-2-5-12(8-11)16(17)20/h2-8,18-19H,9-10H2,1H3,(H2,17,20).
What are the key properties of 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide?
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 43664707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).