8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C21H25NO3 — CID 97356090

IUPAC8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H](CN2CCC3(CC2)OCCO3)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-3-7-18(8-4-1)20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)23-15-16-24-21/h1-10,20H,11-17H2/t20-/m0/s1
InChIKeyYJLZPVREJZWXBF-FQEVSTJZSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds5

About 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 97356090) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID97356090
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H](CN2CCC3(CC2)OCCO3)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-3-7-18(8-4-1)20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)23-15-16-24-21/h1-10,20H,11-17H2/t20-/m0/s1
InChIKeyYJLZPVREJZWXBF-FQEVSTJZSA-N
XLogP3.65
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 97356089
(1R,2S,3S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-[4-(hydroxymethyl)phenyl]-2-phenylbutane-1,3-diol
CID 6681508
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 82215798
4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
CID 21228856
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
CID 58057984
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol
CID 59570721
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 110413029

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 97356090) is 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(O[C@@H](CN2CCC3(CC2)OCCO3)c2ccccc2)cc1.
What is the InChIKey of 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YJLZPVREJZWXBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-7-18(8-4-1)20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)23-15-16-24-21/h1-10,20H,11-17H2/t20-/m0/s1.
What are the key properties of 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 339.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97356090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).