8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H23N3O3 — CID 146415288

IUPAC8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C18H23N3O3/c1-12(14-4-3-13-5-10-24-15(13)11-14)21-8-6-18(7-9-21)16(22)20(2)17(23)19-18/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)
InChIKeyKFNJYHQOSDWAPS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds2

About 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 146415288) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID146415288
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C18H23N3O3/c1-12(14-4-3-13-5-10-24-15(13)11-14)21-8-6-18(7-9-21)16(22)20(2)17(23)19-18/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)
InChIKeyKFNJYHQOSDWAPS-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-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-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 146415288) is 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KFNJYHQOSDWAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(14-4-3-13-5-10-24-15(13)11-14)21-8-6-18(7-9-21)16(22)20(2)17(23)19-18/h3-4,11-12H,5-10H2,1-2H3,(H,19,23).
What are the key properties of 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 146415288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).