3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C18H21NO3 — CID 6622239

IUPAC3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C18H21NO3/c1-12-6-8-14(9-7-12)19-16(20)15-13(2)17(21)22-18(15)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyUMCNLPGRFOWWNW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds2

About 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 6622239) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID6622239
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C18H21NO3/c1-12-6-8-14(9-7-12)19-16(20)15-13(2)17(21)22-18(15)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyUMCNLPGRFOWWNW-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 6622239) is 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is UMCNLPGRFOWWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-6-8-14(9-7-12)19-16(20)15-13(2)17(21)22-18(15)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 6622239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).