2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide

C26H31N3O2 — CID 53366759

IUPAC2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C26H31N3O2/c1-18(2)20-9-11-22(12-10-20)27-23(30)17-29-25(31)24(21-7-5-4-6-8-21)28-26(29)15-13-19(3)14-16-26/h4-12,18-19H,13-17H2,1-3H3,(H,27,30)
InChIKeyRRBMDCIIMQYXBH-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.99
Rot. Bonds5

About 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53366759) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID53366759
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C26H31N3O2/c1-18(2)20-9-11-22(12-10-20)27-23(30)17-29-25(31)24(21-7-5-4-6-8-21)28-26(29)15-13-19(3)14-16-26/h4-12,18-19H,13-17H2,1-3H3,(H,27,30)
InChIKeyRRBMDCIIMQYXBH-UHFFFAOYSA-N
XLogP4.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 53366759) is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide is CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RRBMDCIIMQYXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18(2)20-9-11-22(12-10-20)27-23(30)17-29-25(31)24(21-7-5-4-6-8-21)28-26(29)15-13-19(3)14-16-26/h4-12,18-19H,13-17H2,1-3H3,(H,27,30).
What are the key properties of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53366759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).