7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C17H24N2O2 — CID 57138383

IUPAC7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(c1ccccc1)NC2=O
InChIInChI=1S/C17H24N2O2/c1-15(2)10-17(11-16(3,4)19-15)14(20)18-13(21-17)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H,18,20)
InChIKeyKJCUKHLBEOTLAY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds1

About 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 57138383) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID57138383
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(c1ccccc1)NC2=O
InChIInChI=1S/C17H24N2O2/c1-15(2)10-17(11-16(3,4)19-15)14(20)18-13(21-17)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H,18,20)
InChIKeyKJCUKHLBEOTLAY-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 57138383) is 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CC1(C)CC2(CC(C)(C)N1)OC(c1ccccc1)NC2=O.
What is the InChIKey of 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is KJCUKHLBEOTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-15(2)10-17(11-16(3,4)19-15)14(20)18-13(21-17)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H,18,20).
What are the key properties of 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 57138383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).