2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide

C13H20N2O2 — CID 163857396

IUPAC2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide
SMILESCCC(C)(C)C(=O)NCCc1cc[nH]c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,3)12(17)15-8-6-10-5-7-14-11(16)9-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOZMLGVXGSWTVID-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds5

About 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide

2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide (PubChem CID 163857396) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide
PubChem CID163857396
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide
SMILESCCC(C)(C)C(=O)NCCc1cc[nH]c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,3)12(17)15-8-6-10-5-7-14-11(16)9-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOZMLGVXGSWTVID-UHFFFAOYSA-N
XLogP1.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
4-(2-butoxyethyl)-1H-pyridin-2-one
CID 89218286
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
4-(2,2-dimethylpent-3-enyl)-1H-pyridin-2-one
CID 130252489

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide (CID 163857396) is 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide is CCC(C)(C)C(=O)NCCc1cc[nH]c(=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide?
The InChIKey is OZMLGVXGSWTVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(2,3)12(17)15-8-6-10-5-7-14-11(16)9-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide?
2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide is sourced from PubChem (CID 163857396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).