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

C19H23NO3 — CID 20861360

IUPAC3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-12-4-6-15(7-5-12)20-17(21)16-14(3)18(22)23-19(16)10-8-13(2)9-11-19/h4-7,13H,8-11H2,1-3H3,(H,20,21)
InChIKeyUPTQHCRFMSGVTM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds2

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

3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861360) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861360
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-12-4-6-15(7-5-12)20-17(21)16-14(3)18(22)23-19(16)10-8-13(2)9-11-19/h4-7,13H,8-11H2,1-3H3,(H,20,21)
InChIKeyUPTQHCRFMSGVTM-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861360) is 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is UPTQHCRFMSGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-4-6-15(7-5-12)20-17(21)16-14(3)18(22)23-19(16)10-8-13(2)9-11-19/h4-7,13H,8-11H2,1-3H3,(H,20,21).
What are the key properties of 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).