1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione

C16H20N2O2 — CID 65243274

IUPAC1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)CC12CCCCC2
InChIInChI=1S/C16H20N2O2/c1-17-15(20)18(13-8-4-2-5-9-13)14(19)12-16(17)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyLUDFOOWIQJLJON-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.18
Rot. Bonds1

About 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione

1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 65243274) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione
PubChem CID65243274
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)CC12CCCCC2
InChIInChI=1S/C16H20N2O2/c1-17-15(20)18(13-8-4-2-5-9-13)14(19)12-16(17)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyLUDFOOWIQJLJON-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione (CID 65243274) is 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione is CN1C(=O)N(c2ccccc2)C(=O)CC12CCCCC2.
What is the InChIKey of 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is LUDFOOWIQJLJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-15(20)18(13-8-4-2-5-9-13)14(19)12-16(17)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione?
1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 65243274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).