N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide

C13H20N2O2 — CID 71216432

IUPACN-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide
SMILESCC(=O)NC(Cn1ccccc1=O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(16)14-11(13(2,3)4)9-15-8-6-5-7-12(15)17/h5-8,11H,9H2,1-4H3,(H,14,16)
InChIKeyWWTDFSAGXQQVKT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds3

About N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide

N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide (PubChem CID 71216432) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide
PubChem CID71216432
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide
SMILESCC(=O)NC(Cn1ccccc1=O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(16)14-11(13(2,3)4)9-15-8-6-5-7-12(15)17/h5-8,11H,9H2,1-4H3,(H,14,16)
InChIKeyWWTDFSAGXQQVKT-UHFFFAOYSA-N
XLogP1.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide?
The IUPAC name of N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide (CID 71216432) is N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide?
The canonical SMILES for N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide is CC(=O)NC(Cn1ccccc1=O)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide?
The InChIKey is WWTDFSAGXQQVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)14-11(13(2,3)4)9-15-8-6-5-7-12(15)17/h5-8,11H,9H2,1-4H3,(H,14,16).
What are the key properties of N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide?
N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(2-oxo-1-pyridinyl)butan-2-yl]acetamide is sourced from PubChem (CID 71216432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).