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

C13H20N4O2 — CID 61093615

IUPAC3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H20N4O2/c1-15-12(18)8-17(4)13(19)9-5-6-11(16(2)3)10(14)7-9/h5-7H,8,14H2,1-4H3,(H,15,18)
InChIKeyQYVJXJFOGSAHQB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.15
Rot. Bonds4

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

3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 61093615) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID61093615
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C13H20N4O2/c1-15-12(18)8-17(4)13(19)9-5-6-11(16(2)3)10(14)7-9/h5-7H,8,14H2,1-4H3,(H,15,18)
InChIKeyQYVJXJFOGSAHQB-UHFFFAOYSA-N
XLogP0.15
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.15
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,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
methyl 4-[[3-amino-4-(dimethylamino)benzoyl]-methylamino]butanoate
CID 61108493
[4-(methylamino)-4-oxobutyl] 3-amino-4-(dimethylamino)benzoate
CID 63892536
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107022686
[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61323136
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 61093615) is 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is QYVJXJFOGSAHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-12(18)8-17(4)13(19)9-5-6-11(16(2)3)10(14)7-9/h5-7H,8,14H2,1-4H3,(H,15,18).
What are the key properties of 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 61093615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).