2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

C16H20N2O2 — CID 97407980

IUPAC2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCNCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-14-12-16(7-9-17-10-8-16)15(20)18(14)11-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyIKROOFJRJVREGY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.36
Rot. Bonds3

About 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 97407980) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID97407980
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCNCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-14-12-16(7-9-17-10-8-16)15(20)18(14)11-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2
InChIKeyIKROOFJRJVREGY-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 102669
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CID 9906804
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CID 11395933
CID 11395933
CID 2853912
CID 2853912
CID 5090685
CID 5090685
CID 6497407
CID 6497407
CID 2931469
CID 2931469
CID 3126833
CID 3126833
CID 11245541
CID 11245541
CID 11337188
CID 11337188
CID 5002608
CID 5002608
CID 759775
CID 759775

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 97407980) is 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1CC2(CCNCC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is IKROOFJRJVREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-14-12-16(7-9-17-10-8-16)15(20)18(14)11-6-13-4-2-1-3-5-13/h1-5,17H,6-12H2.
What are the key properties of 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 97407980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).