8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C21H23NO3 — CID 74242620

IUPAC8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)O1
InChIInChI=1S/C21H23NO3/c23-20-24-16-21(25-20)11-13-22(14-12-21)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyWHZDFAXMXZZWAJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds4

About 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 74242620) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID74242620
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)O1
InChIInChI=1S/C21H23NO3/c23-20-24-16-21(25-20)11-13-22(14-12-21)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyWHZDFAXMXZZWAJ-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AJ-190/13485012
CID 899309
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
8-[4,4-Bis(4-fluorophenyl)-3-butenyl]-4-methylene-2-oxo-1,3-dioxa-8-azaspiro[4,5]decane
CID 19887352
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3,3-diphenylpropan-1-one
CID 32303961
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-[(2E)-3-(4-Fluorophenyl)prop-2-EN-1-YL]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74233789
8-[4,4-Bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 3077291
1-[4,4-Bis(4-fluorophenyl)butyl]-3,4,4-trimethoxypiperidine
CID 19883480
8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 70906721
8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 134965340
8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 135035530
6-Methyl-8-(1-phenylcyclohexyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58202

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 74242620) is 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)O1.
What is the InChIKey of 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is WHZDFAXMXZZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20-24-16-21(25-20)11-13-22(14-12-21)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74242620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).