3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide

C12H18N4O2 — CID 43376075

IUPAC3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)CN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-15-11(17)7-16(2)6-9-4-3-8(12(14)18)5-10(9)13/h3-5H,6-7,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyNIAYQYKPTJXCES-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.45
Rot. Bonds5

About 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide

3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 43376075) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID43376075
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)CN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H18N4O2/c1-15-11(17)7-16(2)6-9-4-3-8(12(14)18)5-10(9)13/h3-5H,6-7,13H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyNIAYQYKPTJXCES-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
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-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
2-[(4-carbamothioyl-2-methylphenyl)methyl-methylamino]-N-methylacetamide
CID 114481737
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide (CID 43376075) is 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide is CNC(=O)CN(C)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is NIAYQYKPTJXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-11(17)7-16(2)6-9-4-3-8(12(14)18)5-10(9)13/h3-5H,6-7,13H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide?
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 250.30 g/mol, XLogP of -0.45, 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-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 43376075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).