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

C19H23NO3 — CID 20861406

IUPACN-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-12-7-8-15(13(2)11-12)20-17(21)16-14(3)18(22)23-19(16)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyVCJHXCWYUOCFTJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.82
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861406) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861406
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-12-7-8-15(13(2)11-12)20-17(21)16-14(3)18(22)23-19(16)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,21)
InChIKeyVCJHXCWYUOCFTJ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861406) is N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)C2(CCCCC2)OC1=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is VCJHXCWYUOCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-7-8-15(13(2)11-12)20-17(21)16-14(3)18(22)23-19(16)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).