(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

C18H23NO5 — CID 95379666

IUPAC(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
SMILESC[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C18H23NO5/c1-12-15(24-14-7-5-4-6-13(14)23-12)16(20)19-8-18(9-19)10-21-17(2,3)22-11-18/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyUKCCIHOPJFLFFG-SWLSCSKDSA-N
MW333.38 g/mol
LogP1.83
Rot. Bonds1

About (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone (PubChem CID 95379666) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
PubChem CID95379666
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
SMILESC[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C18H23NO5/c1-12-15(24-14-7-5-4-6-13(14)23-12)16(20)19-8-18(9-19)10-21-17(2,3)22-11-18/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyUKCCIHOPJFLFFG-SWLSCSKDSA-N
XLogP1.83
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone (CID 95379666) is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone.
What is the SMILES notation for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The canonical SMILES for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone is C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The InChIKey is UKCCIHOPJFLFFG-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H23NO5/c1-12-15(24-14-7-5-4-6-13(14)23-12)16(20)19-8-18(9-19)10-21-17(2,3)22-11-18/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone has a molecular weight of 333.38 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone is sourced from PubChem (CID 95379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).