ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one

C36H67NO — CID 160740746

IUPACethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CN1CCC[C@@]2(CC(c3ccccc3)CC2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25NO.7C2H6/c1-23-14-8-13-22(21(23)18-11-6-3-7-12-18)16-19(15-20(22)24)17-9-4-2-5-10-17;7*1-2/h2-7,9-12,19,21H,8,13-16H2,1H3;7*1-2H3/t19?,21-,22-;;;;;;;/m0......./s1
InChIKeyRVNVJBCUUKOONB-XBRXJIPFSA-N
MW529.94 g/mol
LogP11.77
Rot. Bonds2

About ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one

ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one (PubChem CID 160740746) has the molecular formula C36H67NO and a molecular weight of 529.94 g/mol. Its IUPAC name is ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Nameethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one
PubChem CID160740746
Molecular FormulaC36H67NO
Molecular Weight529.94 g/mol
Exact Mass529.52
IUPAC Nameethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CN1CCC[C@@]2(CC(c3ccccc3)CC2=O)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25NO.7C2H6/c1-23-14-8-13-22(21(23)18-11-6-3-7-12-18)16-19(15-20(22)24)17-9-4-2-5-10-17;7*1-2/h2-7,9-12,19,21H,8,13-16H2,1H3;7*1-2H3/t19?,21-,22-;;;;;;;/m0......./s1
InChIKeyRVNVJBCUUKOONB-XBRXJIPFSA-N
XLogP11.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.94
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-phenyl-5-azaspiro[2.5]octan-8-one
CID 11401645
ethane;9-methyl-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-one
CID 91534609
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
9-methyl-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-ol
CID 59972230
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
3,9-dimethyl-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
CID 23560828
2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine
CID 57496428
2-(bromomethyl)-2-methyl-14-phenylcyclopentadecan-1-one
CID 132609013
8-methyl-11-phenyl-8-azaspiro[5.6]dodecane
CID 13240399
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934

Frequently Asked Questions

What is the IUPAC name of ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one?
The IUPAC name of ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one (CID 160740746) is ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one.
What is the SMILES notation for ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one?
The canonical SMILES for ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one is CC.CC.CC.CC.CC.CC.CC.CN1CCC[C@@]2(CC(c3ccccc3)CC2=O)[C@@H]1c1ccccc1.
What is the InChIKey of ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one?
The InChIKey is RVNVJBCUUKOONB-XBRXJIPFSA-N. The full InChI is InChI=1S/C22H25NO.7C2H6/c1-23-14-8-13-22(21(23)18-11-6-3-7-12-18)16-19(15-20(22)24)17-9-4-2-5-10-17;7*1-2/h2-7,9-12,19,21H,8,13-16H2,1H3;7*1-2H3/t19?,21-,22-;;;;;;;/m0......./s1.
What are the key properties of ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one?
ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one has a molecular weight of 529.94 g/mol, XLogP of 11.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 160740746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).