4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C16H31N3O2 — CID 110196182

IUPAC4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CC(N(CC)CC)CCO2
InChIInChI=1S/C16H31N3O2/c1-4-17-15(20)19-10-8-16(9-11-19)13-14(7-12-21-16)18(5-2)6-3/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyJVGDVAWZJMQWGB-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.07
Rot. Bonds4

About 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 110196182) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID110196182
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CC(N(CC)CC)CCO2
InChIInChI=1S/C16H31N3O2/c1-4-17-15(20)19-10-8-16(9-11-19)13-14(7-12-21-16)18(5-2)6-3/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyJVGDVAWZJMQWGB-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 110196182) is 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CCNC(=O)N1CCC2(CC1)CC(N(CC)CC)CCO2.
What is the InChIKey of 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is JVGDVAWZJMQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-15(20)19-10-8-16(9-11-19)13-14(7-12-21-16)18(5-2)6-3/h14H,4-13H2,1-3H3,(H,17,20).
What are the key properties of 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 110196182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).