2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C22H25NO4 — CID 38376507

IUPAC2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(COC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H25NO4/c24-20(23-13-11-22(12-14-23)26-15-16-27-22)17-25-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2
InChIKeyYHEIFWCPYMCKAW-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.16
Rot. Bonds5

About 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 38376507) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID38376507
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(COC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H25NO4/c24-20(23-13-11-22(12-14-23)26-15-16-27-22)17-25-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2
InChIKeyYHEIFWCPYMCKAW-UHFFFAOYSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 38376507) is 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(COC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is YHEIFWCPYMCKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-20(23-13-11-22(12-14-23)26-15-16-27-22)17-25-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2.
What are the key properties of 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 367.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 38376507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).