(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C25H26N2O4 — CID 92560285

IUPAC(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc([C@H]2N(C(=O)c3cc4cc(C)ccc4o3)CCC[C@]23CCC(=O)N3)cc1
InChIInChI=1S/C25H26N2O4/c1-16-4-9-20-18(14-16)15-21(31-20)24(29)27-13-3-11-25(12-10-22(28)26-25)23(27)17-5-7-19(30-2)8-6-17/h4-9,14-15,23H,3,10-13H2,1-2H3,(H,26,28)/t23-,25+/m1/s1
InChIKeyQDSLCJUIGNVHIE-NOZRDPDXSA-N
MW418.49 g/mol
LogP4.38
Rot. Bonds3

About (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 92560285) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID92560285
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc([C@H]2N(C(=O)c3cc4cc(C)ccc4o3)CCC[C@]23CCC(=O)N3)cc1
InChIInChI=1S/C25H26N2O4/c1-16-4-9-20-18(14-16)15-21(31-20)24(29)27-13-3-11-25(12-10-22(28)26-25)23(27)17-5-7-19(30-2)8-6-17/h4-9,14-15,23H,3,10-13H2,1-2H3,(H,26,28)/t23-,25+/m1/s1
InChIKeyQDSLCJUIGNVHIE-NOZRDPDXSA-N
XLogP4.38
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 92560285) is (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is COc1ccc([C@H]2N(C(=O)c3cc4cc(C)ccc4o3)CCC[C@]23CCC(=O)N3)cc1.
What is the InChIKey of (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is QDSLCJUIGNVHIE-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-16-4-9-20-18(14-16)15-21(31-20)24(29)27-13-3-11-25(12-10-22(28)26-25)23(27)17-5-7-19(30-2)8-6-17/h4-9,14-15,23H,3,10-13H2,1-2H3,(H,26,28)/t23-,25+/m1/s1.
What are the key properties of (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 418.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-(4-methoxyphenyl)-9-(5-methyl-1-benzofuran-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 92560285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).