3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide

C13H19N3O2 — CID 82989189

IUPAC3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCOCC2C)c(N)c1
InChIInChI=1S/C13H19N3O2/c1-9-8-18-6-5-16(9)12-4-3-10(7-11(12)14)13(17)15-2/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyDUBGARWUJPUJNZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds2

About 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide

3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide (PubChem CID 82989189) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
PubChem CID82989189
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCOCC2C)c(N)c1
InChIInChI=1S/C13H19N3O2/c1-9-8-18-6-5-16(9)12-4-3-10(7-11(12)14)13(17)15-2/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyDUBGARWUJPUJNZ-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
CID 63357224
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
CID 93111224
3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742783

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide (CID 82989189) is 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide is CNC(=O)c1ccc(N2CCOCC2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide?
The InChIKey is DUBGARWUJPUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-18-6-5-16(9)12-4-3-10(7-11(12)14)13(17)15-2/h3-4,7,9H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide?
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide is sourced from PubChem (CID 82989189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).