2,2-dimethylbutanamide;quinoline

C15H20N2O — CID 174754953

IUPAC2,2-dimethylbutanamide;quinoline
SMILESCCC(C)(C)C(N)=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H13NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-6(2,3)5(7)8/h1-7H;4H2,1-3H3,(H2,7,8)
InChIKeyQVSUWNLIEABSSU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.14
Rot. Bonds2

About 2,2-dimethylbutanamide;quinoline

2,2-dimethylbutanamide;quinoline (PubChem CID 174754953) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,2-dimethylbutanamide;quinoline.

Molecular Properties

Compound Name2,2-dimethylbutanamide;quinoline
PubChem CID174754953
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,2-dimethylbutanamide;quinoline
SMILESCCC(C)(C)C(N)=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H13NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-6(2,3)5(7)8/h1-7H;4H2,1-3H3,(H2,7,8)
InChIKeyQVSUWNLIEABSSU-UHFFFAOYSA-N
XLogP3.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylbutanamide;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanamide;quinoline?
The IUPAC name of 2,2-dimethylbutanamide;quinoline (CID 174754953) is 2,2-dimethylbutanamide;quinoline.
What is the SMILES notation for 2,2-dimethylbutanamide;quinoline?
The canonical SMILES for 2,2-dimethylbutanamide;quinoline is CCC(C)(C)C(N)=O.c1ccc2ncccc2c1.
What is the InChIKey of 2,2-dimethylbutanamide;quinoline?
The InChIKey is QVSUWNLIEABSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H13NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-6(2,3)5(7)8/h1-7H;4H2,1-3H3,(H2,7,8).
What are the key properties of 2,2-dimethylbutanamide;quinoline?
2,2-dimethylbutanamide;quinoline has a molecular weight of 244.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanamide;quinoline is sourced from PubChem (CID 174754953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).