N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide

C11H20N2O3 — CID 90537486

IUPACN-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCCNC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C11H20N2O3/c1-4-12-9(14)13-5-11(6-13)7-15-10(2,3)16-8-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyVLDYBBHASSTXGY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.80
Rot. Bonds1

About N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide

N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 90537486) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID90537486
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCCNC(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C11H20N2O3/c1-4-12-9(14)13-5-11(6-13)7-15-10(2,3)16-8-11/h4-8H2,1-3H3,(H,12,14)
InChIKeyVLDYBBHASSTXGY-UHFFFAOYSA-N
XLogP0.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide (CID 90537486) is N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide is CCNC(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is VLDYBBHASSTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-12-9(14)13-5-11(6-13)7-15-10(2,3)16-8-11/h4-8H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide?
N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 90537486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).