2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H22N4O5 — CID 24537010

IUPAC2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22N4O5/c23-13(10-21-14(24)11-6-2-3-7-12(11)15(21)25)20-22-16(26)18(19-17(22)27)8-4-1-5-9-18/h2-3,11-12H,1,4-10H2,(H,19,27)(H,20,23)
InChIKeyQRLVSUWHDJWABB-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.22
Rot. Bonds3

About 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24537010) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24537010
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22N4O5/c23-13(10-21-14(24)11-6-2-3-7-12(11)15(21)25)20-22-16(26)18(19-17(22)27)8-4-1-5-9-18/h2-3,11-12H,1,4-10H2,(H,19,27)(H,20,23)
InChIKeyQRLVSUWHDJWABB-UHFFFAOYSA-N
XLogP0.22
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 25363672
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558559
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 46813310
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 46614028
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
methyl 1-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 98354753
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 8503480
N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55850667
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8539357
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580465
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8694854
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24537010) is 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)C2CC=CCC2C1=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QRLVSUWHDJWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c23-13(10-21-14(24)11-6-2-3-7-12(11)15(21)25)20-22-16(26)18(19-17(22)27)8-4-1-5-9-18/h2-3,11-12H,1,4-10H2,(H,19,27)(H,20,23).
What are the key properties of 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24537010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).