3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H22N2O4 — CID 131962870

IUPAC3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)COC3)C2=O
InChIInChI=1S/C19H22N2O4/c1-12-4-6-19(7-5-12)17(23)21(18(24)20-19)9-16(22)13-2-3-14-10-25-11-15(14)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24)
InChIKeyKPFHIADNVQVOTB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.40
Rot. Bonds3

About 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 131962870) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID131962870
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)COC3)C2=O
InChIInChI=1S/C19H22N2O4/c1-12-4-6-19(7-5-12)17(23)21(18(24)20-19)9-16(22)13-2-3-14-10-25-11-15(14)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24)
InChIKeyKPFHIADNVQVOTB-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.40
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-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170025
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17470835
3-[2-(4-bromophenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264317
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60619575
5,5-dicyclopropyl-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60619140
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094308
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8004082
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 131962870) is 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)COC3)C2=O.
What is the InChIKey of 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KPFHIADNVQVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-4-6-19(7-5-12)17(23)21(18(24)20-19)9-16(22)13-2-3-14-10-25-11-15(14)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,24).
What are the key properties of 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 131962870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).