2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C24H32N4O4 — CID 36947132

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(N3CCCC3=O)c1)C2=O
InChIInChI=1S/C24H32N4O4/c1-23(2,3)16-9-11-24(12-10-16)21(31)28(22(32)26-24)15-19(29)25-17-6-4-7-18(14-17)27-13-5-8-20(27)30/h4,6-7,14,16H,5,8-13,15H2,1-3H3,(H,25,29)(H,26,32)
InChIKeyOKBZHXJVKKKNKG-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.28
Rot. Bonds4

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 36947132) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID36947132
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(N3CCCC3=O)c1)C2=O
InChIInChI=1S/C24H32N4O4/c1-23(2,3)16-9-11-24(12-10-16)21(31)28(22(32)26-24)15-19(29)25-17-6-4-7-18(14-17)27-13-5-8-20(27)30/h4,6-7,14,16H,5,8-13,15H2,1-3H3,(H,25,29)(H,26,32)
InChIKeyOKBZHXJVKKKNKG-UHFFFAOYSA-N
XLogP3.28
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.28
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

N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55990684
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 55748943
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40666947
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55768341

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 36947132) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(N3CCCC3=O)c1)C2=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is OKBZHXJVKKKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-23(2,3)16-9-11-24(12-10-16)21(31)28(22(32)26-24)15-19(29)25-17-6-4-7-18(14-17)27-13-5-8-20(27)30/h4,6-7,14,16H,5,8-13,15H2,1-3H3,(H,25,29)(H,26,32).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 36947132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).