1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one

C23H28N2O2 — CID 119121853

IUPAC1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cc(CNCc3cccc(CN4CCCC4=O)c3)ccc2O1
InChIInChI=1S/C23H28N2O2/c1-23(2)13-20-12-18(8-9-21(20)27-23)15-24-14-17-5-3-6-19(11-17)16-25-10-4-7-22(25)26/h3,5-6,8-9,11-12,24H,4,7,10,13-16H2,1-2H3
InChIKeyZOPMZJMPRFYIFU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds6

About 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 119121853) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID119121853
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cc(CNCc3cccc(CN4CCCC4=O)c3)ccc2O1
InChIInChI=1S/C23H28N2O2/c1-23(2)13-20-12-18(8-9-21(20)27-23)15-24-14-17-5-3-6-19(11-17)16-25-10-4-7-22(25)26/h3,5-6,8-9,11-12,24H,4,7,10,13-16H2,1-2H3
InChIKeyZOPMZJMPRFYIFU-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 119121853) is 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one is CC1(C)Cc2cc(CNCc3cccc(CN4CCCC4=O)c3)ccc2O1.
What is the InChIKey of 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is ZOPMZJMPRFYIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2)13-20-12-18(8-9-21(20)27-23)15-24-14-17-5-3-6-19(11-17)16-25-10-4-7-22(25)26/h3,5-6,8-9,11-12,24H,4,7,10,13-16H2,1-2H3.
What are the key properties of 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 119121853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).