2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide

C23H33N3O4 — CID 9438454

IUPAC2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O
InChIInChI=1S/C23H33N3O4/c1-4-22(2,3)17-10-12-23(13-11-17)20(28)26(21(29)25-23)16-19(27)24-14-15-30-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyJQSZEIOZQZLXQK-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.10
Rot. Bonds8

About 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 9438454) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID9438454
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O
InChIInChI=1S/C23H33N3O4/c1-4-22(2,3)17-10-12-23(13-11-17)20(28)26(21(29)25-23)16-19(27)24-14-15-30-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyJQSZEIOZQZLXQK-UHFFFAOYSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide (CID 9438454) is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCOc1ccccc1)C2=O.
What is the InChIKey of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is JQSZEIOZQZLXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-4-22(2,3)17-10-12-23(13-11-17)20(28)26(21(29)25-23)16-19(27)24-14-15-30-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide?
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 415.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 9438454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).