2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide

C20H25N3O2 — CID 113176737

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-7-6-8-15(2)20(14)21-19(25)13-23(16(3)24)18-11-9-17(10-12-18)22(4)5/h6-12H,13H2,1-5H3,(H,21,25)
InChIKeyUZBXSDUYZQMTDR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.36
Rot. Bonds5

About 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide

2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 113176737) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID113176737
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-7-6-8-15(2)20(14)21-19(25)13-23(16(3)24)18-11-9-17(10-12-18)22(4)5/h6-12H,13H2,1-5H3,(H,21,25)
InChIKeyUZBXSDUYZQMTDR-UHFFFAOYSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.36
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

2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
CID 113176752
2-(N-acetyl-4-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113167752
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113174436
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
2-(N-acetyl-3,4-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113179486

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide (CID 113176737) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is UZBXSDUYZQMTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-6-8-15(2)20(14)21-19(25)13-23(16(3)24)18-11-9-17(10-12-18)22(4)5/h6-12H,13H2,1-5H3,(H,21,25).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113176737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).