2-(2,3-dimethylanilino)-3-methylpentanamide

C14H22N2O — CID 174388293

IUPAC2-(2,3-dimethylanilino)-3-methylpentanamide
SMILESCCC(C)C(Nc1cccc(C)c1C)C(N)=O
InChIInChI=1S/C14H22N2O/c1-5-9(2)13(14(15)17)16-12-8-6-7-10(3)11(12)4/h6-9,13,16H,5H2,1-4H3,(H2,15,17)
InChIKeyDOAUFZJLSVCQKJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds5

About 2-(2,3-dimethylanilino)-3-methylpentanamide

2-(2,3-dimethylanilino)-3-methylpentanamide (PubChem CID 174388293) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-3-methylpentanamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-3-methylpentanamide
PubChem CID174388293
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2,3-dimethylanilino)-3-methylpentanamide
SMILESCCC(C)C(Nc1cccc(C)c1C)C(N)=O
InChIInChI=1S/C14H22N2O/c1-5-9(2)13(14(15)17)16-12-8-6-7-10(3)11(12)4/h6-9,13,16H,5H2,1-4H3,(H2,15,17)
InChIKeyDOAUFZJLSVCQKJ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-3-methylpentanamide?
The IUPAC name of 2-(2,3-dimethylanilino)-3-methylpentanamide (CID 174388293) is 2-(2,3-dimethylanilino)-3-methylpentanamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-3-methylpentanamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-3-methylpentanamide is CCC(C)C(Nc1cccc(C)c1C)C(N)=O.
What is the InChIKey of 2-(2,3-dimethylanilino)-3-methylpentanamide?
The InChIKey is DOAUFZJLSVCQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-9(2)13(14(15)17)16-12-8-6-7-10(3)11(12)4/h6-9,13,16H,5H2,1-4H3,(H2,15,17).
What are the key properties of 2-(2,3-dimethylanilino)-3-methylpentanamide?
2-(2,3-dimethylanilino)-3-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-3-methylpentanamide is sourced from PubChem (CID 174388293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).