2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol

C26H35NO2 — CID 7302177

IUPAC2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
SMILESCC[C@@]1(C)C[C@@]2(CCCN(CC(O)(c3ccccc3)c3ccccc3)C2)CCO1
InChIInChI=1S/C26H35NO2/c1-3-24(2)19-25(16-18-29-24)15-10-17-27(20-25)21-26(28,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,28H,3,10,15-21H2,1-2H3/t24-,25+/m0/s1
InChIKeyBWSWBFHBCUYYDQ-LOSJGSFVSA-N
MW393.57 g/mol
LogP4.98
Rot. Bonds5

About 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol

2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol (PubChem CID 7302177) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
PubChem CID7302177
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol
SMILESCC[C@@]1(C)C[C@@]2(CCCN(CC(O)(c3ccccc3)c3ccccc3)C2)CCO1
InChIInChI=1S/C26H35NO2/c1-3-24(2)19-25(16-18-29-24)15-10-17-27(20-25)21-26(28,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,28H,3,10,15-21H2,1-2H3/t24-,25+/m0/s1
InChIKeyBWSWBFHBCUYYDQ-LOSJGSFVSA-N
XLogP4.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol with MolForge

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Related Compounds

3-[(6R)-10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylpropan-1-ol
CID 1286998
(6R,10S)-10-ethyl-10-methyl-2-prop-2-ynyl-9-oxa-2-azaspiro[5.5]undecane
CID 94798251
ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
CID 7241657
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
CID 116790405
2-ethyl-2-methyl-4-phenylmorpholine
CID 67990977
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
2-phenyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-ol
CID 102745135
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylpropan-2-ol
CID 107271988
2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)thiophene-3-carboxylic acid
CID 107432277
3-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107408621
3-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-phenylpropanamide
CID 63217523

Frequently Asked Questions

What is the IUPAC name of 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol?
The IUPAC name of 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol (CID 7302177) is 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol?
The canonical SMILES for 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol is CC[C@@]1(C)C[C@@]2(CCCN(CC(O)(c3ccccc3)c3ccccc3)C2)CCO1.
What is the InChIKey of 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol?
The InChIKey is BWSWBFHBCUYYDQ-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H35NO2/c1-3-24(2)19-25(16-18-29-24)15-10-17-27(20-25)21-26(28,22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,28H,3,10,15-21H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol?
2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol has a molecular weight of 393.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R,10S)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,1-diphenylethanol is sourced from PubChem (CID 7302177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).