8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H26F2N2O3 — CID 11992992

IUPAC8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)cc(CN2CC3(CCN(C(=O)c4c(F)ccc(C)c4F)CC3)OC2=O)c1
InChIInChI=1S/C24H26F2N2O3/c1-15-10-16(2)12-18(11-15)13-28-14-24(31-23(28)30)6-8-27(9-7-24)22(29)20-19(25)5-4-17(3)21(20)26/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKeyJJQJPVQFHJBPAS-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.52
Rot. Bonds3

About 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 11992992) has the molecular formula C24H26F2N2O3 and a molecular weight of 428.48 g/mol. Its IUPAC name is 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID11992992
Molecular FormulaC24H26F2N2O3
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC Name8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)cc(CN2CC3(CCN(C(=O)c4c(F)ccc(C)c4F)CC3)OC2=O)c1
InChIInChI=1S/C24H26F2N2O3/c1-15-10-16(2)12-18(11-15)13-28-14-24(31-23(28)30)6-8-27(9-7-24)22(29)20-19(25)5-4-17(3)21(20)26/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKeyJJQJPVQFHJBPAS-UHFFFAOYSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 11992992) is 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C)cc(CN2CC3(CCN(C(=O)c4c(F)ccc(C)c4F)CC3)OC2=O)c1.
What is the InChIKey of 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JJQJPVQFHJBPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3/c1-15-10-16(2)12-18(11-15)13-28-14-24(31-23(28)30)6-8-27(9-7-24)22(29)20-19(25)5-4-17(3)21(20)26/h4-5,10-12H,6-9,13-14H2,1-3H3.
What are the key properties of 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 428.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3-methylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 11992992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).