4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide

C16H20N4O4 — CID 24545818

IUPAC4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C16H20N4O4/c1-9-3-5-16(6-4-9)14(23)20(15(24)18-16)19-13(22)12-7-11(8-17-12)10(2)21/h7-9,17H,3-6H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyOZSPMWLZVQMOFK-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.36
Rot. Bonds3

About 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 24545818) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID24545818
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C16H20N4O4/c1-9-3-5-16(6-4-9)14(23)20(15(24)18-16)19-13(22)12-7-11(8-17-12)10(2)21/h7-9,17H,3-6H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyOZSPMWLZVQMOFK-UHFFFAOYSA-N
XLogP1.36
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
6-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-2-carboxamide
CID 32645806
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 9083903
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide
CID 31202428
4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide
CID 16960910
(2S)-2-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41041441
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16573959
6-methoxy-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 24545842
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 16573972
4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564644
cis-(1S,3S)-2,2-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 97184856
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide (CID 24545818) is 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1.
What is the InChIKey of 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OZSPMWLZVQMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-3-5-16(6-4-9)14(23)20(15(24)18-16)19-13(22)12-7-11(8-17-12)10(2)21/h7-9,17H,3-6H2,1-2H3,(H,18,24)(H,19,22).
What are the key properties of 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24545818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).