(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

C25H30N2O2 — CID 92583127

IUPAC(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1(C)Cc2cc(CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)ccc2O1
InChIInChI=1S/C25H30N2O2/c1-24(2)14-20-13-18(10-11-22(20)29-24)15-27-16-21(19-7-4-3-5-8-19)25(17-27)12-6-9-23(28)26-25/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,26,28)/t21-,25+/m0/s1
InChIKeyXNSJORHJEHPOAD-SQJMNOBHSA-N
MW390.53 g/mol
LogP4.04
Rot. Bonds3

About (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92583127) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92583127
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1(C)Cc2cc(CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)ccc2O1
InChIInChI=1S/C25H30N2O2/c1-24(2)14-20-13-18(10-11-22(20)29-24)15-27-16-21(19-7-4-3-5-8-19)25(17-27)12-6-9-23(28)26-25/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,26,28)/t21-,25+/m0/s1
InChIKeyXNSJORHJEHPOAD-SQJMNOBHSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-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 (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one (CID 92583127) is (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is CC1(C)Cc2cc(CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)ccc2O1.
What is the InChIKey of (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is XNSJORHJEHPOAD-SQJMNOBHSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-24(2)14-20-13-18(10-11-22(20)29-24)15-27-16-21(19-7-4-3-5-8-19)25(17-27)12-6-9-23(28)26-25/h3-5,7-8,10-11,13,21H,6,9,12,14-17H2,1-2H3,(H,26,28)/t21-,25+/m0/s1.
What are the key properties of (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 390.53 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92583127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).