(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

C14H24F2N2O2 — CID 138011001

IUPAC(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCC(F)(F)C(C)(C)CNC(=O)[C@]12CNC[C@H]1CCOC2
InChIInChI=1S/C14H24F2N2O2/c1-12(2,13(3,15)16)7-18-11(19)14-8-17-6-10(14)4-5-20-9-14/h10,17H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyOGXXYLPFZIIDMD-YGRLFVJLSA-N
MW290.35 g/mol
LogP1.41
Rot. Bonds4

About (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (PubChem CID 138011001) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
PubChem CID138011001
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCC(F)(F)C(C)(C)CNC(=O)[C@]12CNC[C@H]1CCOC2
InChIInChI=1S/C14H24F2N2O2/c1-12(2,13(3,15)16)7-18-11(19)14-8-17-6-10(14)4-5-20-9-14/h10,17H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyOGXXYLPFZIIDMD-YGRLFVJLSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

rac-(3aR,7aR)-N-methyl-octahydropyrano[3,4-c]pyrrole-7a-carboxamide hydrochloride
CID 132353982
N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710058
N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719753
(3S,4S)-1-[2-methyl-2-(oxan-4-yl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963602
(4-fluoropiperidin-1-yl)((3aR,7R,7aR)-octahydropyrano[3,4-c]pyrrol-7-yl)methanone
CID 124245215
Ethyl 5-(2,2,2-trifluoroacetyl)octahydro-7aH-pyrrolo[3,4-c]pyridine-7a-carboxylate
CID 131691981
(3aR,7aR)-N-methyl-2-[1-(trifluoromethyl)cyclobutanecarbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxamide
CID 132367667
(3aS,7aS)-N-[(4-fluorocyclohexyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010624
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(3,3-difluoropiperidin-1-yl)methanone
CID 138010661
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 138010665
(3aS,7aS)-N-(2,2-difluoropropyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010773
(3aS,7aS)-N-(2,2-difluorospiro[2.3]hexan-5-yl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010788

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (CID 138011001) is (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is CC(F)(F)C(C)(C)CNC(=O)[C@]12CNC[C@H]1CCOC2.
What is the InChIKey of (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is OGXXYLPFZIIDMD-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-12(2,13(3,15)16)7-18-11(19)14-8-17-6-10(14)4-5-20-9-14/h10,17H,4-9H2,1-3H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
(3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N-(3,3-difluoro-2,2-dimethylbutyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 138011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).