2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H19Cl2N3O2 — CID 70933184

IUPAC2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(Oc1ccc(Cl)cc1Cl)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C16H19Cl2N3O2/c1-15(2,23-12-4-3-10(17)9-11(12)18)13-20-14(22)16(21-13)5-7-19-8-6-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyNLWVSKNJAXYXNH-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70933184) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70933184
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(C)(Oc1ccc(Cl)cc1Cl)C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C16H19Cl2N3O2/c1-15(2,23-12-4-3-10(17)9-11(12)18)13-20-14(22)16(21-13)5-7-19-8-6-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,21,22)
InChIKeyNLWVSKNJAXYXNH-UHFFFAOYSA-N
XLogP2.80
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 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 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70933184) is 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(C)(Oc1ccc(Cl)cc1Cl)C1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is NLWVSKNJAXYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-15(2,23-12-4-3-10(17)9-11(12)18)13-20-14(22)16(21-13)5-7-19-8-6-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 356.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70933184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).