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

C20H31NO3 — CID 20861354

IUPACN-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC2CCCC(C)C2C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H31NO3/c1-12-8-10-20(11-9-12)17(15(4)19(23)24-20)18(22)21-16-7-5-6-13(2)14(16)3/h12-14,16H,5-11H2,1-4H3,(H,21,22)
InChIKeyCHYXUIXCWUDGFC-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.75
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861354) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861354
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC2CCCC(C)C2C)C2(CCC(C)CC2)OC1=O
InChIInChI=1S/C20H31NO3/c1-12-8-10-20(11-9-12)17(15(4)19(23)24-20)18(22)21-16-7-5-6-13(2)14(16)3/h12-14,16H,5-11H2,1-4H3,(H,21,22)
InChIKeyCHYXUIXCWUDGFC-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 5309811
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861354) is N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NC2CCCC(C)C2C)C2(CCC(C)CC2)OC1=O.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is CHYXUIXCWUDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-12-8-10-20(11-9-12)17(15(4)19(23)24-20)18(22)21-16-7-5-6-13(2)14(16)3/h12-14,16H,5-11H2,1-4H3,(H,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).