5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide

C16H18N2O2 — CID 61103300

IUPAC5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-4-3-5-12(8-11)10-18-16(19)14-9-13(17)6-7-15(14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyPMUITJHHZWENKU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.52
Rot. Bonds4

About 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide

5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 61103300) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
PubChem CID61103300
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C16H18N2O2/c1-11-4-3-5-12(8-11)10-18-16(19)14-9-13(17)6-7-15(14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyPMUITJHHZWENKU-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 110763343
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
7-methoxy-1-methyl-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 143502442
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide (CID 61103300) is 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(N)cc1C(=O)NCc1cccc(C)c1.
What is the InChIKey of 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is PMUITJHHZWENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-3-5-12(8-11)10-18-16(19)14-9-13(17)6-7-15(14)20-2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide?
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 61103300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).