4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C17H22N2O3 — CID 155986157

IUPAC4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCCC(=O)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C17H22N2O3/c1-2-15(20)18-10-6-9-17(12-18)13-19(16(21)11-22-17)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyYNSZWGZGIWWCKP-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.82
Rot. Bonds2

About 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155986157) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155986157
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESCCC(=O)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
InChIInChI=1S/C17H22N2O3/c1-2-15(20)18-10-6-9-17(12-18)13-19(16(21)11-22-17)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3
InChIKeyYNSZWGZGIWWCKP-UHFFFAOYSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155986157) is 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is CCC(=O)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.
What is the InChIKey of 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YNSZWGZGIWWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-15(20)18-10-6-9-17(12-18)13-19(16(21)11-22-17)14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3.
What are the key properties of 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 302.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-propanoyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155986157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).