5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide

C17H20N2O2 — CID 61292490

IUPAC5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-7-8-15(18)9-16(12)17(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeySXDMAPFIXXJJKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds5

About 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide

5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 61292490) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
PubChem CID61292490
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
SMILESCOCc1ccccc1CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C17H20N2O2/c1-12-7-8-15(18)9-16(12)17(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeySXDMAPFIXXJJKQ-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
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-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61102561
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide (CID 61292490) is 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide is COCc1ccccc1CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is SXDMAPFIXXJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-15(18)9-16(12)17(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide?
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 61292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).