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

C20H25NO3 — CID 20861426

IUPAC3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C(C)C)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-13(2)15-7-9-16(10-8-15)21-18(22)17-14(3)19(23)24-20(17)11-5-4-6-12-20/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,22)
InChIKeyRCEMMGRCYLVENA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.32
Rot. Bonds3

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

3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861426) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861426
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C(C)C)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-13(2)15-7-9-16(10-8-15)21-18(22)17-14(3)19(23)24-20(17)11-5-4-6-12-20/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,22)
InChIKeyRCEMMGRCYLVENA-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861426) is 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(C(C)C)cc2)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is RCEMMGRCYLVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)15-7-9-16(10-8-15)21-18(22)17-14(3)19(23)24-20(17)11-5-4-6-12-20/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(4-propan-2-ylphenyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).