7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane

C24H39NO4 — CID 90805607

IUPAC7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1(C)CC2(OCC(COC)O2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C24H39NO4/c1-7-22(4)18-24(27-17-21(29-24)16-26-6)19(3)23(5,8-2)25(22)28-15-14-20-12-10-9-11-13-20/h9-13,19,21H,7-8,14-18H2,1-6H3
InChIKeyLREMBNMYUXGBKZ-UHFFFAOYSA-N
MW405.58 g/mol
LogP4.60
Rot. Bonds8

About 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane

7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 90805607) has the molecular formula C24H39NO4 and a molecular weight of 405.58 g/mol. Its IUPAC name is 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID90805607
Molecular FormulaC24H39NO4
Molecular Weight405.58 g/mol
Exact Mass405.29
IUPAC Name7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1(C)CC2(OCC(COC)O2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C24H39NO4/c1-7-22(4)18-24(27-17-21(29-24)16-26-6)19(3)23(5,8-2)25(22)28-15-14-20-12-10-9-11-13-20/h9-13,19,21H,7-8,14-18H2,1-6H3
InChIKeyLREMBNMYUXGBKZ-UHFFFAOYSA-N
XLogP4.60
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane (CID 90805607) is 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane is CCC1(C)CC2(OCC(COC)O2)C(C)C(C)(CC)N1OCCc1ccccc1.
What is the InChIKey of 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LREMBNMYUXGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO4/c1-7-22(4)18-24(27-17-21(29-24)16-26-6)19(3)23(5,8-2)25(22)28-15-14-20-12-10-9-11-13-20/h9-13,19,21H,7-8,14-18H2,1-6H3.
What are the key properties of 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane?
7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 405.58 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-3-(methoxymethyl)-6,7,9-trimethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90805607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).