3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane

C21H32N2O — CID 3040373

IUPAC3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCC1N(CC)COC12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C21H32N2O/c1-3-20-21(24-16-22(20)4-2)11-13-23(14-12-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-8,19-20H,3-4,9-16H2,1-2H3
InChIKeyJTNZLQZXOOINRG-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.47
Rot. Bonds3

About 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane

3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane (PubChem CID 3040373) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane
PubChem CID3040373
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCC1N(CC)COC12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C21H32N2O/c1-3-20-21(24-16-22(20)4-2)11-13-23(14-12-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-8,19-20H,3-4,9-16H2,1-2H3
InChIKeyJTNZLQZXOOINRG-UHFFFAOYSA-N
XLogP3.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane?
The IUPAC name of 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane (CID 3040373) is 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane is CCC1N(CC)COC12CCN(C1CCc3ccccc3C1)CC2.
What is the InChIKey of 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane?
The InChIKey is JTNZLQZXOOINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-3-20-21(24-16-22(20)4-2)11-13-23(14-12-21)19-10-9-17-7-5-6-8-18(17)15-19/h5-8,19-20H,3-4,9-16H2,1-2H3.
What are the key properties of 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane?
3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane has a molecular weight of 328.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 3040373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).