[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate

C24H37NO5 — CID 58982483

IUPAC[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccccc1)OCC(COC(C)=O)O2
InChIInChI=1S/C24H37NO5/c1-7-23(8-2)17-24(28-15-21(29-24)14-27-19(4)26)16-22(5,6)25(23)30-18(3)20-12-10-9-11-13-20/h9-13,18,21H,7-8,14-17H2,1-6H3
InChIKeyDCZYYFZSUGGJIM-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.79
Rot. Bonds7

About [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate

[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (PubChem CID 58982483) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate.

Molecular Properties

Compound Name[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
PubChem CID58982483
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccccc1)OCC(COC(C)=O)O2
InChIInChI=1S/C24H37NO5/c1-7-23(8-2)17-24(28-15-21(29-24)14-27-19(4)26)16-22(5,6)25(23)30-18(3)20-12-10-9-11-13-20/h9-13,18,21H,7-8,14-17H2,1-6H3
InChIKeyDCZYYFZSUGGJIM-UHFFFAOYSA-N
XLogP4.79
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The IUPAC name of [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (CID 58982483) is [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate.
What is the SMILES notation for [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The canonical SMILES for [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate is CCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccccc1)OCC(COC(C)=O)O2.
What is the InChIKey of [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
The InChIKey is DCZYYFZSUGGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5/c1-7-23(8-2)17-24(28-15-21(29-24)14-27-19(4)26)16-22(5,6)25(23)30-18(3)20-12-10-9-11-13-20/h9-13,18,21H,7-8,14-17H2,1-6H3.
What are the key properties of [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
[7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate has a molecular weight of 419.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate is sourced from PubChem (CID 58982483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).