4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide

C24H34N4O4 — CID 55990684

IUPAC4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1
InChIInChI=1S/C24H34N4O4/c1-15(2)25-20(30)16-6-8-18(9-7-16)26-19(29)14-28-21(31)24(27-22(28)32)12-10-17(11-13-24)23(3,4)5/h6-9,15,17H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)
InChIKeyIQPADDOQBDBHEA-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.29
Rot. Bonds5

About 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 55990684) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID55990684
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1
InChIInChI=1S/C24H34N4O4/c1-15(2)25-20(30)16-6-8-18(9-7-16)26-19(29)14-28-21(31)24(27-22(28)32)12-10-17(11-13-24)23(3,4)5/h6-9,15,17H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32)
InChIKeyIQPADDOQBDBHEA-UHFFFAOYSA-N
XLogP3.29
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.29
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

4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55888176
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
CID 7277193
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
CID 7240794
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide (CID 55990684) is 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1.
What is the InChIKey of 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is IQPADDOQBDBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-15(2)25-20(30)16-6-8-18(9-7-16)26-19(29)14-28-21(31)24(27-22(28)32)12-10-17(11-13-24)23(3,4)5/h6-9,15,17H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,32).
What are the key properties of 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 442.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55990684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).