(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane

C17H25NO2 — CID 129430000

IUPAC(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESC[C@H](CCN1CCOC[C@]12CCOC2)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(16-5-3-2-4-6-16)7-9-18-10-12-20-14-17(18)8-11-19-13-17/h2-6,15H,7-14H2,1H3/t15-,17-/m1/s1
InChIKeyBWWAZDMPKBZJHE-NVXWUHKLSA-N
MW275.39 g/mol
LogP2.67
Rot. Bonds4

About (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane

(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 129430000) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID129430000
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESC[C@H](CCN1CCOC[C@]12CCOC2)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-15(16-5-3-2-4-6-16)7-9-18-10-12-20-14-17(18)8-11-19-13-17/h2-6,15H,7-14H2,1H3/t15-,17-/m1/s1
InChIKeyBWWAZDMPKBZJHE-NVXWUHKLSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane (CID 129430000) is (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane is C[C@H](CCN1CCOC[C@]12CCOC2)c1ccccc1.
What is the InChIKey of (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is BWWAZDMPKBZJHE-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(16-5-3-2-4-6-16)7-9-18-10-12-20-14-17(18)8-11-19-13-17/h2-6,15H,7-14H2,1H3/t15-,17-/m1/s1.
What are the key properties of (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane?
(5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane has a molecular weight of 275.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[(3R)-3-phenylbutyl]-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 129430000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).