5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione

C24H23NO5 — CID 163457078

IUPAC5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione
SMILESCOc1ccc(N=C2C(=O)OC3(OC2=O)C2CC4CC(C2)CC3C4)c2ccccc12
InChIInChI=1S/C24H23NO5/c1-28-20-7-6-19(17-4-2-3-5-18(17)20)25-21-22(26)29-24(30-23(21)27)15-9-13-8-14(11-15)12-16(24)10-13/h2-7,13-16H,8-12H2,1H3/b25-21-
InChIKeyBLJIEADRJVCQDZ-DAFNUICNSA-N
MW405.45 g/mol
LogP4.17
Rot. Bonds2

About 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione

5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione (PubChem CID 163457078) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione.

Molecular Properties

Compound Name5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione
PubChem CID163457078
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione
SMILESCOc1ccc(N=C2C(=O)OC3(OC2=O)C2CC4CC(C2)CC3C4)c2ccccc12
InChIInChI=1S/C24H23NO5/c1-28-20-7-6-19(17-4-2-3-5-18(17)20)25-21-22(26)29-24(30-23(21)27)15-9-13-8-14(11-15)12-16(24)10-13/h2-7,13-16H,8-12H2,1H3/b25-21-
InChIKeyBLJIEADRJVCQDZ-DAFNUICNSA-N
XLogP4.17
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione?
The IUPAC name of 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione (CID 163457078) is 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione.
What is the SMILES notation for 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione?
The canonical SMILES for 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione is COc1ccc(N=C2C(=O)OC3(OC2=O)C2CC4CC(C2)CC3C4)c2ccccc12.
What is the InChIKey of 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione?
The InChIKey is BLJIEADRJVCQDZ-DAFNUICNSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-7-6-19(17-4-2-3-5-18(17)20)25-21-22(26)29-24(30-23(21)27)15-9-13-8-14(11-15)12-16(24)10-13/h2-7,13-16H,8-12H2,1H3/b25-21-.
What are the key properties of 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione?
5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione has a molecular weight of 405.45 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxynaphthalen-1-yl)iminospiro[1,3-dioxane-2,2'-adamantane]-4,6-dione is sourced from PubChem (CID 163457078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).