4-[(2-methoxyethylamino)methyl]-N-methylbenzamide

C12H18N2O2 — CID 60732716

IUPAC4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCOC)cc1
InChIInChI=1S/C12H18N2O2/c1-13-12(15)11-5-3-10(4-6-11)9-14-7-8-16-2/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyPISHOOVXZRHOAB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds6

About 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide

4-[(2-methoxyethylamino)methyl]-N-methylbenzamide (PubChem CID 60732716) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
PubChem CID60732716
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCOC)cc1
InChIInChI=1S/C12H18N2O2/c1-13-12(15)11-5-3-10(4-6-11)9-14-7-8-16-2/h3-6,14H,7-9H2,1-2H3,(H,13,15)
InChIKeyPISHOOVXZRHOAB-UHFFFAOYSA-N
XLogP0.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
4-[[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 110973133
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-[(2-methoxyethylamino)methyl]phenyl]ethynyl]benzamide
CID 59697901
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide (CID 60732716) is 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCCOC)cc1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide?
The InChIKey is PISHOOVXZRHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-12(15)11-5-3-10(4-6-11)9-14-7-8-16-2/h3-6,14H,7-9H2,1-2H3,(H,13,15).
What are the key properties of 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide?
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 60732716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).