8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C19H25FN2O3 — CID 155986175

IUPAC8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C19H25FN2O3/c1-18(2,3)17(24)21-10-4-9-19(12-21)13-22(16(23)11-25-19)15-7-5-14(20)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeySWKANCIFYHGZKW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.60
Rot. Bonds1

About 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155986175) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155986175
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)(C)C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C19H25FN2O3/c1-18(2,3)17(24)21-10-4-9-19(12-21)13-22(16(23)11-25-19)15-7-5-14(20)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeySWKANCIFYHGZKW-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155986175) is 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is CC(C)(C)C(=O)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SWKANCIFYHGZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-18(2,3)17(24)21-10-4-9-19(12-21)13-22(16(23)11-25-19)15-7-5-14(20)6-8-15/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155986175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).