2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide

C15H25N3O — CID 62120856

IUPAC2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(CNC)cc1C
InChIInChI=1S/C15H25N3O/c1-6-18(11-15(19)17(4)5)14-8-7-13(10-16-3)9-12(14)2/h7-9,16H,6,10-11H2,1-5H3
InChIKeyYFXBXKOUBFJSRV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.63
Rot. Bonds6

About 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide

2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide (PubChem CID 62120856) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
PubChem CID62120856
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(CNC)cc1C
InChIInChI=1S/C15H25N3O/c1-6-18(11-15(19)17(4)5)14-8-7-13(10-16-3)9-12(14)2/h7-9,16H,6,10-11H2,1-5H3
InChIKeyYFXBXKOUBFJSRV-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
CID 54990395
N,2-dimethyl-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)aniline
CID 112662210
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62121360

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide (CID 62120856) is 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc(CNC)cc1C.
What is the InChIKey of 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is YFXBXKOUBFJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-18(11-15(19)17(4)5)14-8-7-13(10-16-3)9-12(14)2/h7-9,16H,6,10-11H2,1-5H3.
What are the key properties of 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide?
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 62120856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).