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

C25H29FN2O3 — CID 134808328

IUPAC3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18(2)22(29)27-15-13-25(14-16-27)24(3,20-10-5-4-6-11-20)28(23(30)31-25)17-19-9-7-8-12-21(19)26/h4-12,18H,13-17H2,1-3H3
InChIKeyKHBNBIXLUXBFGK-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.71
Rot. Bonds4

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

3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134808328) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134808328
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18(2)22(29)27-15-13-25(14-16-27)24(3,20-10-5-4-6-11-20)28(23(30)31-25)17-19-9-7-8-12-21(19)26/h4-12,18H,13-17H2,1-3H3
InChIKeyKHBNBIXLUXBFGK-UHFFFAOYSA-N
XLogP4.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134808328) is 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)C(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1F)C2(C)c1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KHBNBIXLUXBFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18(2)22(29)27-15-13-25(14-16-27)24(3,20-10-5-4-6-11-20)28(23(30)31-25)17-19-9-7-8-12-21(19)26/h4-12,18H,13-17H2,1-3H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 424.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134808328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).