2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide

C13H21N3O — CID 43617050

IUPAC2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-5-16(4)13(17)10-14-11-6-8-12(9-7-11)15(2)3/h6-9,14H,5,10H2,1-4H3
InChIKeySFXWWQDGZTWCEY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.64
Rot. Bonds5

About 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide

2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide (PubChem CID 43617050) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
PubChem CID43617050
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-5-16(4)13(17)10-14-11-6-8-12(9-7-11)15(2)3/h6-9,14H,5,10H2,1-4H3
InChIKeySFXWWQDGZTWCEY-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-ethylanilino)-N-methylacetamide
CID 43309649
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
N-ethyl-N-methyl-2-(4-methylsulfanylanilino)acetamide
CID 43309578
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
CID 43380729
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
CID 114133940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide (CID 43617050) is 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide?
The InChIKey is SFXWWQDGZTWCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-16(4)13(17)10-14-11-6-8-12(9-7-11)15(2)3/h6-9,14H,5,10H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide?
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43617050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).