(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H22N2O4 — CID 33407230

IUPAC(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCO3)C2=O
InChIInChI=1S/C19H22N2O4/c1-12-4-2-3-8-19(12)17(23)21(18(24)20-19)11-15(22)13-5-6-16-14(10-13)7-9-25-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,24)/t12-,19-/m1/s1
InChIKeyKIVIZLMGTLWBBH-CWTRNNRKSA-N
MW342.40 g/mol
LogP2.30
Rot. Bonds3

About (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 33407230) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID33407230
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCO3)C2=O
InChIInChI=1S/C19H22N2O4/c1-12-4-2-3-8-19(12)17(23)21(18(24)20-19)11-15(22)13-5-6-16-14(10-13)7-9-25-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,24)/t12-,19-/m1/s1
InChIKeyKIVIZLMGTLWBBH-CWTRNNRKSA-N
XLogP2.30
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 ≤ 52.30
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

3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181755
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 35847831
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955499
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40841009
(5S,6R)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40791004
(5R,6S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51884022
(5S,6S)-3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11888805
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 33407230) is (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCO3)C2=O.
What is the InChIKey of (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KIVIZLMGTLWBBH-CWTRNNRKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-4-2-3-8-19(12)17(23)21(18(24)20-19)11-15(22)13-5-6-16-14(10-13)7-9-25-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,24)/t12-,19-/m1/s1.
What are the key properties of (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 33407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).