3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide

C12H18N4O2 — CID 106914247

IUPAC3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
SMILESCNC(=O)CCN(C)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-15-11(17)5-6-16(2)10-4-3-8(12(14)18)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUDRZSJGEYUFYMV-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.06
Rot. Bonds5

About 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide

3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide (PubChem CID 106914247) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
PubChem CID106914247
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
SMILESCNC(=O)CCN(C)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-15-11(17)5-6-16(2)10-4-3-8(12(14)18)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUDRZSJGEYUFYMV-UHFFFAOYSA-N
XLogP-0.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-3-(trifluoromethyl)benzoic acid
CID 106916147
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
[4-(methylamino)-4-oxobutyl] 3-amino-4-(dimethylamino)benzoate
CID 63892536
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
3-amino-4-(dibutylamino)benzamide
CID 43448369
3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093615
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide?
The IUPAC name of 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide (CID 106914247) is 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide.
What is the SMILES notation for 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide?
The canonical SMILES for 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide is CNC(=O)CCN(C)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide?
The InChIKey is UDRZSJGEYUFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-11(17)5-6-16(2)10-4-3-8(12(14)18)7-9(10)13/h3-4,7H,5-6,13H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide?
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide is sourced from PubChem (CID 106914247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).