1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione

C29H38N2O5 — CID 134131691

IUPAC1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCCC(c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)CC(C)C
InChIInChI=1S/C29H38N2O5/c1-5-24(22-7-9-25-23(17-22)12-14-35-25)30(18-20(2)3)19-21-6-8-26(27(16-21)34-4)36-15-13-31-28(32)10-11-29(31)33/h6-9,16-17,20,24H,5,10-15,18-19H2,1-4H3
InChIKeyFUGUQZLDGGXDGB-UHFFFAOYSA-N
MW494.63 g/mol
LogP4.77
Rot. Bonds12

About 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione

1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134131691) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134131691
Molecular FormulaC29H38N2O5
Molecular Weight494.63 g/mol
Exact Mass494.28
IUPAC Name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCCC(c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)CC(C)C
InChIInChI=1S/C29H38N2O5/c1-5-24(22-7-9-25-23(17-22)12-14-35-25)30(18-20(2)3)19-21-6-8-26(27(16-21)34-4)36-15-13-31-28(32)10-11-29(31)33/h6-9,16-17,20,24H,5,10-15,18-19H2,1-4H3
InChIKeyFUGUQZLDGGXDGB-UHFFFAOYSA-N
XLogP4.77
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 134131691) is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is CCC(c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)CC(C)C.
What is the InChIKey of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FUGUQZLDGGXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O5/c1-5-24(22-7-9-25-23(17-22)12-14-35-25)30(18-20(2)3)19-21-6-8-26(27(16-21)34-4)36-15-13-31-28(32)10-11-29(31)33/h6-9,16-17,20,24H,5,10-15,18-19H2,1-4H3.
What are the key properties of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 494.63 g/mol, XLogP of 4.77, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propyl-(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134131691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).