8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H25FN2O3 — CID 134810774

IUPAC8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1
InChIInChI=1S/C23H25FN2O3/c1-17(27)25-14-12-23(13-15-25)22(2,19-9-4-3-5-10-19)26(21(28)29-23)16-18-8-6-7-11-20(18)24/h3-11H,12-16H2,1-2H3
InChIKeyHWEGSAORKBRFLT-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.07
Rot. Bonds3

About 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810774) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810774
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1
InChIInChI=1S/C23H25FN2O3/c1-17(27)25-14-12-23(13-15-25)22(2,19-9-4-3-5-10-19)26(21(28)29-23)16-18-8-6-7-11-20(18)24/h3-11H,12-16H2,1-2H3
InChIKeyHWEGSAORKBRFLT-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810774) is 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1.
What is the InChIKey of 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HWEGSAORKBRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-17(27)25-14-12-23(13-15-25)22(2,19-9-4-3-5-10-19)26(21(28)29-23)16-18-8-6-7-11-20(18)24/h3-11H,12-16H2,1-2H3.
What are the key properties of 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 396.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).