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

C21H25NO3 — CID 97356089

IUPAC8-[(2S)-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-/m1/s1
InChIKeyYJLZPVREJZWXBF-HXUWFJFHSA-N
MW339.44 g/mol
LogP3.65
Rot. Bonds5

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

8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 97356089) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID97356089
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name8-[(2S)-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-/m1/s1
InChIKeyYJLZPVREJZWXBF-HXUWFJFHSA-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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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 97356089) is 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2S)-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-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YJLZPVREJZWXBF-HXUWFJFHSA-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-/m1/s1.
What are the key properties of 8-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2S)-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-[(2S)-2-phenoxy-2-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97356089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).