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

C20H25NO3 — CID 20861344

IUPAC3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCc2ccccc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14-8-11-20(12-9-14)17(15(2)19(23)24-20)18(22)21-13-10-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,21,22)
InChIKeyHNMNVIVSVBUPHU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.17
Rot. Bonds4

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

3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861344) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861344
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCc2ccccc2)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14-8-11-20(12-9-14)17(15(2)19(23)24-20)18(22)21-13-10-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,21,22)
InChIKeyHNMNVIVSVBUPHU-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-dimethyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861366
N-[2-(4-ethoxyphenyl)ethyl]-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622238
3,8-dimethyl-N-(3-methylbutyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6619437
8-ethylsulfonyl-3-methyl-2-oxo-N-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789876
8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906739
3,8-dimethyl-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309002
N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309811
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910725
3-methyl-2-oxo-8-(3-phenylpropyl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 123185818
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 141088853
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861344) is 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NCCc2ccccc2)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is HNMNVIVSVBUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-8-11-20(12-9-14)17(15(2)19(23)24-20)18(22)21-13-10-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,21,22).
What are the key properties of 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).