N-butyl-2-(2,6-dimethylanilino)acetamide

C14H22N2O — CID 54818393

IUPACN-butyl-2-(2,6-dimethylanilino)acetamide
SMILESCCCCNC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-5-9-15-13(17)10-16-14-11(2)7-6-8-12(14)3/h6-8,16H,4-5,9-10H2,1-3H3,(H,15,17)
InChIKeyCHBCJXAHKUMSOT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds6

About N-butyl-2-(2,6-dimethylanilino)acetamide

N-butyl-2-(2,6-dimethylanilino)acetamide (PubChem CID 54818393) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butyl-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,6-dimethylanilino)acetamide
PubChem CID54818393
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butyl-2-(2,6-dimethylanilino)acetamide
SMILESCCCCNC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-5-9-15-13(17)10-16-14-11(2)7-6-8-12(14)3/h6-8,16H,4-5,9-10H2,1-3H3,(H,15,17)
InChIKeyCHBCJXAHKUMSOT-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
CID 54819409
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 119668833
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-butyl-2-(2,6-dimethylanilino)acetamide (CID 54818393) is N-butyl-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-butyl-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-butyl-2-(2,6-dimethylanilino)acetamide is CCCCNC(=O)CNc1c(C)cccc1C.
What is the InChIKey of N-butyl-2-(2,6-dimethylanilino)acetamide?
The InChIKey is CHBCJXAHKUMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-9-15-13(17)10-16-14-11(2)7-6-8-12(14)3/h6-8,16H,4-5,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-(2,6-dimethylanilino)acetamide?
N-butyl-2-(2,6-dimethylanilino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 54818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).