8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H24N4O4 — CID 55472622

IUPAC8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1ccc(N2CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1
InChIInChI=1S/C20H24N4O4/c1-2-13-3-5-15(6-4-13)24-12-14(11-16(24)25)17(26)23-9-7-20(8-10-23)18(27)21-19(28)22-20/h3-6,14H,2,7-12H2,1H3,(H2,21,22,27,28)
InChIKeyPHWQHPLGGBEBNO-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.80
Rot. Bonds3

About 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 55472622) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID55472622
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1ccc(N2CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1
InChIInChI=1S/C20H24N4O4/c1-2-13-3-5-15(6-4-13)24-12-14(11-16(24)25)17(26)23-9-7-20(8-10-23)18(27)21-19(28)22-20/h3-6,14H,2,7-12H2,1H3,(H2,21,22,27,28)
InChIKeyPHWQHPLGGBEBNO-UHFFFAOYSA-N
XLogP0.80
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809745
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810037
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 55472622) is 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCc1ccc(N2CC(C(=O)N3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1.
What is the InChIKey of 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PHWQHPLGGBEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-13-3-5-15(6-4-13)24-12-14(11-16(24)25)17(26)23-9-7-20(8-10-23)18(27)21-19(28)22-20/h3-6,14H,2,7-12H2,1H3,(H2,21,22,27,28).
What are the key properties of 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55472622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).