10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane

C20H32N2O — CID 129053806

IUPAC10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane
SMILESCCN1CC(C)(C)OC2(CCCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H32N2O/c1-4-21-16-19(2,3)23-20(17-21)11-8-13-22(14-12-20)15-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeyDDXWEXQXHKHAOS-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.54
Rot. Bonds3

About 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane

10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane (PubChem CID 129053806) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane
PubChem CID129053806
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane
SMILESCCN1CC(C)(C)OC2(CCCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H32N2O/c1-4-21-16-19(2,3)23-20(17-21)11-8-13-22(14-12-20)15-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeyDDXWEXQXHKHAOS-UHFFFAOYSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane?
The IUPAC name of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane (CID 129053806) is 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane is CCN1CC(C)(C)OC2(CCCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane?
The InChIKey is DDXWEXQXHKHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-4-21-16-19(2,3)23-20(17-21)11-8-13-22(14-12-20)15-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3.
What are the key properties of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane?
10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane has a molecular weight of 316.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 129053806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).