4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H24N2O2 — CID 20522011

IUPAC4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C17H24N2O2/c1-18-14-17(21-13-16(18)20)8-11-19(12-9-17)10-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyCVVYSURPMNUFBQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.55
Rot. Bonds3

About 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522011) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522011
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O
InChIInChI=1S/C17H24N2O2/c1-18-14-17(21-13-16(18)20)8-11-19(12-9-17)10-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyCVVYSURPMNUFBQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522011) is 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCc3ccccc3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CVVYSURPMNUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-14-17(21-13-16(18)20)8-11-19(12-9-17)10-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).