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

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

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Related Compounds

(1S,3S,4R)-1,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-one
CID 23240115
2-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]acetic acid;hydrate;hydrochloride
CID 25090329
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
2-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]acetonitrile
CID 163867355
methyl 2-[(1R,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetate
CID 14084988
(1R,4R)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 10936436
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 71436692
N,N-dimethyl-2-[methyl-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]propanamide
CID 24843738
(1S,3R,4R)-1,7,7-trimethyl-3-[2-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 98103053
(1S,3S,4R)-1,7,7-trimethyl-3-[2-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 124768639
(1R,3S,4S)-3-[(3R,4S)-4-hydroxyhexan-3-yl]selanyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 10758879
2-oxo-2-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 51605286

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).