8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C34H32F2N2O3 — CID 19887462

IUPAC8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(O)N(c2cccc3ccccc23)C(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C34H32F2N2O3/c1-33(40)34(41-32(39)38(33)31-10-4-7-24-6-2-3-8-30(24)31)19-22-37(23-20-34)21-5-9-29(25-11-15-27(35)16-12-25)26-13-17-28(36)18-14-26/h2-4,6-18,40H,5,19-23H2,1H3
InChIKeyYNSHSXHDTCNPHR-UHFFFAOYSA-N
MW554.64 g/mol
LogP7.14
Rot. Bonds6

About 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19887462) has the molecular formula C34H32F2N2O3 and a molecular weight of 554.64 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19887462
Molecular FormulaC34H32F2N2O3
Molecular Weight554.64 g/mol
Exact Mass554.24
IUPAC Name8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(O)N(c2cccc3ccccc23)C(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C34H32F2N2O3/c1-33(40)34(41-32(39)38(33)31-10-4-7-24-6-2-3-8-30(24)31)19-22-37(23-20-34)21-5-9-29(25-11-15-27(35)16-12-25)26-13-17-28(36)18-14-26/h2-4,6-18,40H,5,19-23H2,1H3
InChIKeyYNSHSXHDTCNPHR-UHFFFAOYSA-N
XLogP7.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19887462) is 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(O)N(c2cccc3ccccc23)C(=O)OC12CCN(CCC=C(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YNSHSXHDTCNPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N2O3/c1-33(40)34(41-32(39)38(33)31-10-4-7-24-6-2-3-8-30(24)31)19-22-37(23-20-34)21-5-9-29(25-11-15-27(35)16-12-25)26-13-17-28(36)18-14-26/h2-4,6-18,40H,5,19-23H2,1H3.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 554.64 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19887462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).