4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H17N3O2 — CID 43374613

IUPAC4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(4-5-10(8)13)12(17)15(3)7-11(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyXYXHJPSYQZBOHX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.40
Rot. Bonds3

About 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 43374613) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID43374613
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H17N3O2/c1-8-6-9(4-5-10(8)13)12(17)15(3)7-11(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyXYXHJPSYQZBOHX-UHFFFAOYSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093615
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107022686
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79772944
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 17413733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 43374613) is 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is XYXHJPSYQZBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-9(4-5-10(8)13)12(17)15(3)7-11(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43374613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).