1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone

C19H29NO3 — CID 71789555

IUPAC1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C19H29NO3/c1-17(2)22-11-18(12-23-17)9-20(10-18)16(21)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-12H2,1-2H3
InChIKeyVJCDFEZWUVBEMO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.81
Rot. Bonds1

About 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone

1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 71789555) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID71789555
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2
InChIInChI=1S/C19H29NO3/c1-17(2)22-11-18(12-23-17)9-20(10-18)16(21)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-12H2,1-2H3
InChIKeyVJCDFEZWUVBEMO-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 71789555) is 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is CC1(C)OCC2(CO1)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2.
What is the InChIKey of 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is VJCDFEZWUVBEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-17(2)22-11-18(12-23-17)9-20(10-18)16(21)19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 71789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).