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

C18H23N3O3 — CID 146415315

IUPAC8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](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)/t12-/m0/s1
InChIKeyKFNJYHQOSDWAPS-LBPRGKRZSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds2

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

8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 146415315) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-[(1S)-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-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID146415315
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](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)/t12-/m0/s1
InChIKeyKFNJYHQOSDWAPS-LBPRGKRZSA-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'}

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Related Compounds

8-[[3,5-Diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 25122324
3-[2-(2-Isopropyl-5-methylphenoxy)ethyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 976275
3-[(2-Ethoxyphenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2998882
3-[(2-Ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2578518
N-benzyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-propan-2-ylacetamide
CID 3921031
N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
CID 5033862
3'-(2-Oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 5151985
3-[(3-Methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9208526
N-butyl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16305002
US11213525, Example 23
CID 137518794
US9815796, Example 155
CID 139268086
US9815796, Example 226
CID 139268157

Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-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-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 146415315) is 8-[(1S)-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-[(1S)-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-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 8-[(1S)-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-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(1S)-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-[(1S)-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 146415315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).