3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

C19H23NO3 — CID 20910693

IUPAC3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCCC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-13-7-9-15(10-8-13)20-17(21)16-14(2)18(22)23-19(16)11-5-3-4-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,20,21)
InChIKeyRTVGKTGJFVGDEZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.90
Rot. Bonds2

About 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide (PubChem CID 20910693) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
PubChem CID20910693
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCCC2)OC1=O
InChIInChI=1S/C19H23NO3/c1-13-7-9-15(10-8-13)20-17(21)16-14(2)18(22)23-19(16)11-5-3-4-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,20,21)
InChIKeyRTVGKTGJFVGDEZ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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[4.6]undec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide (CID 20910693) is 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C2(CCCCCC2)OC1=O.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
The InChIKey is RTVGKTGJFVGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-7-9-15(10-8-13)20-17(21)16-14(2)18(22)23-19(16)11-5-3-4-6-12-19/h7-10H,3-6,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.90, 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[4.6]undec-3-ene-4-carboxamide is sourced from PubChem (CID 20910693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).