2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide

C12H17N3O2 — CID 104528378

IUPAC2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(6-11(10)13)15(3)7-12(17)14-2/h4-6H,7,13H2,1-3H3,(H,14,17)
InChIKeyDGRLUVMBDZMMJZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds4

About 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide

2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide (PubChem CID 104528378) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
PubChem CID104528378
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(6-11(10)13)15(3)7-12(17)14-2/h4-6H,7,13H2,1-3H3,(H,14,17)
InChIKeyDGRLUVMBDZMMJZ-UHFFFAOYSA-N
XLogP0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
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

2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 104528615
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
2-amino-4-[[2-(methylamino)-2-oxoethyl]-propylamino]benzoic acid
CID 104500433
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 113419723
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
CID 104528515

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide (CID 104528378) is 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide is CNC(=O)CN(C)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide?
The InChIKey is DGRLUVMBDZMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-5-4-9(6-11(10)13)15(3)7-12(17)14-2/h4-6H,7,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide?
2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide is sourced from PubChem (CID 104528378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).