4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

C20H22N4O — CID 58949885

IUPAC4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(c2ccccc2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H22N4O/c21-18-20(24(19(25)22-18)17-9-5-2-6-10-17)11-13-23(14-12-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,22,25)
InChIKeyPPXPNLNJOLTXIA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.02
Rot. Bonds3

About 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 58949885) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID58949885
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(c2ccccc2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H22N4O/c21-18-20(24(19(25)22-18)17-9-5-2-6-10-17)11-13-23(14-12-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,22,25)
InChIKeyPPXPNLNJOLTXIA-UHFFFAOYSA-N
XLogP3.02
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 58949885) is 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)N(c2ccccc2)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is PPXPNLNJOLTXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-18-20(24(19(25)22-18)17-9-5-2-6-10-17)11-13-23(14-12-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,22,25).
What are the key properties of 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).