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

C12H18N4O2 — CID 82989269

IUPAC3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(C)C(=O)NC)c(N)c1
InChIInChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-5-4-8(6-9(10)13)12(18)15-3/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyNMVITUGZUIQQND-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.17
Rot. Bonds4

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

3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 82989269) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID82989269
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(C)C(=O)NC)c(N)c1
InChIInChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-5-4-8(6-9(10)13)12(18)15-3/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyNMVITUGZUIQQND-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

4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
ethyl 3-amino-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzoate
CID 61466557
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
CID 82989343
3-amino-N-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzamide
CID 106281246
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide (CID 82989269) is 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide is CNC(=O)c1ccc(NC(C)C(=O)NC)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is NMVITUGZUIQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(11(17)14-2)16-10-5-4-8(6-9(10)13)12(18)15-3/h4-7,16H,13H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide?
3-amino-N-methyl-4-[[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 3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 82989269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).