8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C18H30N2O4 — CID 20906670

IUPAC8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C
InChIInChI=1S/C18H30N2O4/c1-5-20-10-7-18(8-11-20)15(14(4)17(22)24-18)16(21)19-9-6-12-23-13(2)3/h13H,5-12H2,1-4H3,(H,19,21)
InChIKeyIWWPWUABUICOJT-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.65
Rot. Bonds7

About 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906670) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906670
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C
InChIInChI=1S/C18H30N2O4/c1-5-20-10-7-18(8-11-20)15(14(4)17(22)24-18)16(21)19-9-6-12-23-13(2)3/h13H,5-12H2,1-4H3,(H,19,21)
InChIKeyIWWPWUABUICOJT-UHFFFAOYSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906670) is 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C.
What is the InChIKey of 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is IWWPWUABUICOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-20-10-7-18(8-11-20)15(14(4)17(22)24-18)16(21)19-9-6-12-23-13(2)3/h13H,5-12H2,1-4H3,(H,19,21).
What are the key properties of 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).