8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H33F2N3O2 — CID 26134386

IUPAC8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C23H33F2N3O2/c1-16(2)8-11-28-22(30)27(14-17(3)4)21(29)23(28)9-12-26(13-10-23)15-18-6-5-7-19(24)20(18)25/h5-7,16-17H,8-15H2,1-4H3
InChIKeyOJMNKQYPGJJNSQ-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.27
Rot. Bonds7

About 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26134386) has the molecular formula C23H33F2N3O2 and a molecular weight of 421.53 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26134386
Molecular FormulaC23H33F2N3O2
Molecular Weight421.53 g/mol
Exact Mass421.25
IUPAC Name8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C23H33F2N3O2/c1-16(2)8-11-28-22(30)27(14-17(3)4)21(29)23(28)9-12-26(13-10-23)15-18-6-5-7-19(24)20(18)25/h5-7,16-17H,8-15H2,1-4H3
InChIKeyOJMNKQYPGJJNSQ-UHFFFAOYSA-N
XLogP4.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26134386) is 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(F)c1F)CC2.
What is the InChIKey of 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OJMNKQYPGJJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N3O2/c1-16(2)8-11-28-22(30)27(14-17(3)4)21(29)23(28)9-12-26(13-10-23)15-18-6-5-7-19(24)20(18)25/h5-7,16-17H,8-15H2,1-4H3.
What are the key properties of 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 421.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26134386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).