8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one

C26H32N4O — CID 135492826

IUPAC8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1
InChIInChI=1S/C26H32N4O/c31-25-28-24(27-22-12-6-2-7-13-22)26(30(25)23-14-8-3-9-15-23)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1,3-5,8-11,14-15,22H,2,6-7,12-13,16-20H2,(H,27,28,31)
InChIKeyVAFQNFGVNZIBOO-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.98
Rot. Bonds4

About 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one

8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 135492826) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID135492826
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1
InChIInChI=1S/C26H32N4O/c31-25-28-24(27-22-12-6-2-7-13-22)26(30(25)23-14-8-3-9-15-23)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1,3-5,8-11,14-15,22H,2,6-7,12-13,16-20H2,(H,27,28,31)
InChIKeyVAFQNFGVNZIBOO-UHFFFAOYSA-N
XLogP4.98
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 135492826) is 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one is O=C1N/C(=N\C2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1.
What is the InChIKey of 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is VAFQNFGVNZIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c31-25-28-24(27-22-12-6-2-7-13-22)26(30(25)23-14-8-3-9-15-23)16-18-29(19-17-26)20-21-10-4-1-5-11-21/h1,3-5,8-11,14-15,22H,2,6-7,12-13,16-20H2,(H,27,28,31).
What are the key properties of 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one?
8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 416.57 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-cyclohexylimino-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).