N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C17H21NO4 — CID 5309455

IUPACN-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCc2ccco2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C17H21NO4/c1-11-5-7-17(8-6-11)14(12(2)16(20)22-17)15(19)18-10-13-4-3-9-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyCXHZSCJJEOIRMC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.72
Rot. Bonds3

About N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 5309455) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID5309455
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCc2ccco2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C17H21NO4/c1-11-5-7-17(8-6-11)14(12(2)16(20)22-17)15(19)18-10-13-4-3-9-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyCXHZSCJJEOIRMC-UHFFFAOYSA-N
XLogP2.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 5309455) is N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NCc2ccco2)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is CXHZSCJJEOIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-5-7-17(8-6-11)14(12(2)16(20)22-17)15(19)18-10-13-4-3-9-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 5309455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).