3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H22N2O2 — CID 103599854

IUPAC3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21)
InChIKeySMZDLGAQCMPQCY-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.08
Rot. Bonds3

About 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 103599854) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID103599854
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21)
InChIKeySMZDLGAQCMPQCY-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 103599854) is 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SMZDLGAQCMPQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21).
What are the key properties of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103599854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).