2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide

C16H28N2O2 — CID 24836052

IUPAC2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCCC(C(=O)NC1C(=O)C2(C)CCC1C2(C)C)N(C)C
InChIInChI=1S/C16H28N2O2/c1-7-11(18(5)6)14(20)17-12-10-8-9-16(4,13(12)19)15(10,2)3/h10-12H,7-9H2,1-6H3,(H,17,20)
InChIKeyUKDOCYALNBTKDT-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.84
Rot. Bonds4

About 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide

2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide (PubChem CID 24836052) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide
PubChem CID24836052
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCCC(C(=O)NC1C(=O)C2(C)CCC1C2(C)C)N(C)C
InChIInChI=1S/C16H28N2O2/c1-7-11(18(5)6)14(20)17-12-10-8-9-16(4,13(12)19)15(10,2)3/h10-12H,7-9H2,1-6H3,(H,17,20)
InChIKeyUKDOCYALNBTKDT-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide?
The IUPAC name of 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide (CID 24836052) is 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide?
The canonical SMILES for 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide is CCC(C(=O)NC1C(=O)C2(C)CCC1C2(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide?
The InChIKey is UKDOCYALNBTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-11(18(5)6)14(20)17-12-10-8-9-16(4,13(12)19)15(10,2)3/h10-12H,7-9H2,1-6H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide?
2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide has a molecular weight of 280.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)butanamide is sourced from PubChem (CID 24836052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).