3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one

C18H26N2O4 — CID 146140061

IUPAC3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c1=O
InChIInChI=1S/C18H26N2O4/c1-12(2)8-19-7-5-6-13(16(19)21)17(22)20-11-18(3,4)24-15-10-23-9-14(15)20/h5-7,12,14-15H,8-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyNJKFKQNFBXSLTA-HUUCEWRRSA-N
MW334.42 g/mol
LogP1.52
Rot. Bonds3

About 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one

3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one (PubChem CID 146140061) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one
PubChem CID146140061
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1cccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c1=O
InChIInChI=1S/C18H26N2O4/c1-12(2)8-19-7-5-6-13(16(19)21)17(22)20-11-18(3,4)24-15-10-23-9-14(15)20/h5-7,12,14-15H,8-11H2,1-4H3/t14-,15-/m1/s1
InChIKeyNJKFKQNFBXSLTA-HUUCEWRRSA-N
XLogP1.52
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one with MolForge

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Related Compounds

3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-6-cyclopropyl-1H-pyridin-2-one
CID 167810034
1-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazin-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 138020370
1-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazin-4-yl]-3,3-difluorobutan-1-one
CID 166240565
(2,2-dimethylcyclohexyl)methyl 1-(2-methylpropyl)-2-oxopyridine-3-carboxylate
CID 167908502
(Z)-1-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazin-4-yl]-3-chlorobut-2-en-1-one
CID 166247646
1-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazin-4-yl]-3-(2,2-difluorocyclopropyl)propan-1-one
CID 166244732
(Z)-1-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazin-4-yl]-3-cyclopropyl-2-fluoroprop-2-en-1-one
CID 166263047
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one
CID 71874880
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 154787709
3-[1-(2-methylpropyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82526723
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one (CID 146140061) is 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1cccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c1=O.
What is the InChIKey of 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is NJKFKQNFBXSLTA-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)8-19-7-5-6-13(16(19)21)17(22)20-11-18(3,4)24-15-10-23-9-14(15)20/h5-7,12,14-15H,8-11H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one?
3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carbonyl]-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 146140061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).