4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide

C10H15N3O2 — CID 63357385

IUPAC4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)OC)c1
InChIInChI=1S/C10H15N3O2/c1-12-10(14)7-4-5-8(11)9(6-7)13(2)15-3/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyNJHJPWXUEOAWDV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.63
Rot. Bonds3

About 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide

4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide (PubChem CID 63357385) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
PubChem CID63357385
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)OC)c1
InChIInChI=1S/C10H15N3O2/c1-12-10(14)7-4-5-8(11)9(6-7)13(2)15-3/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyNJHJPWXUEOAWDV-UHFFFAOYSA-N
XLogP0.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
CID 63357313
3-amino-N-ethyl-4-[methoxy(methyl)amino]benzamide
CID 82999693
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
CID 63357471
methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
CID 75525893
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-cyano-N-methylbenzamide
CID 68880969
4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide
CID 63357356
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
CID 63357483
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide (CID 63357385) is 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(N(C)OC)c1.
What is the InChIKey of 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide?
The InChIKey is NJHJPWXUEOAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-10(14)7-4-5-8(11)9(6-7)13(2)15-3/h4-6H,11H2,1-3H3,(H,12,14).
What are the key properties of 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide?
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide has a molecular weight of 209.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide is sourced from PubChem (CID 63357385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).