4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide

C12H18N4O2 — CID 55190178

IUPAC4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)C(=O)NC)c1
InChIInChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-6-8(12(18)15-3)4-5-9(10)13/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZPQCRTXPVUXLTO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.17
Rot. Bonds4

About 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide

4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 55190178) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID55190178
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)C(=O)NC)c1
InChIInChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-6-8(12(18)15-3)4-5-9(10)13/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZPQCRTXPVUXLTO-UHFFFAOYSA-N
XLogP0.17
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
2-(2-amino-5-sulfamoylanilino)-N-methylpropanamide
CID 82907013
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-amino-3-(1-hydroxybutan-2-ylamino)-N-methylbenzamide
CID 63357122
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide
CID 63356476
ethyl 3-amino-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoate
CID 61466557
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide (CID 55190178) is 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide is CNC(=O)c1ccc(N)c(NC(C)C(=O)NC)c1.
What is the InChIKey of 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is ZPQCRTXPVUXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-6-8(12(18)15-3)4-5-9(10)13/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 55190178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).