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

C18H28N2O5 — CID 20906730

IUPAC8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C
InChIInChI=1S/C18H28N2O5/c1-12(2)24-11-5-8-19-16(22)15-13(3)17(23)25-18(15)6-9-20(10-7-18)14(4)21/h12H,5-11H2,1-4H3,(H,19,22)
InChIKeyZSQLXWMDUSVIKO-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.17
Rot. Bonds6

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

8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906730) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906730
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C
InChIInChI=1S/C18H28N2O5/c1-12(2)24-11-5-8-19-16(22)15-13(3)17(23)25-18(15)6-9-20(10-7-18)14(4)21/h12H,5-11H2,1-4H3,(H,19,22)
InChIKeyZSQLXWMDUSVIKO-UHFFFAOYSA-N
XLogP1.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.17
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-acetyl-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-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906730) is 8-acetyl-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-acetyl-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-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C.
What is the InChIKey of 8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is ZSQLXWMDUSVIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-12(2)24-11-5-8-19-16(22)15-13(3)17(23)25-18(15)6-9-20(10-7-18)14(4)21/h12H,5-11H2,1-4H3,(H,19,22).
What are the key properties of 8-acetyl-3-methyl-2-oxo-N-(3-propan-2-yloxypropyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-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 352.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-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 20906730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).