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

C33H36N2O6 — CID 134134300

IUPAC1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(Cc2ccc3c(c2)CCO3)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C33H36N2O6/c1-22(25-5-8-29-27(19-25)12-15-40-29)34(20-23-3-6-28-26(17-23)11-14-39-28)21-24-4-7-30(31(18-24)38-2)41-16-13-35-32(36)9-10-33(35)37/h3-8,17-19,22H,9-16,20-21H2,1-2H3
InChIKeyGKAAMMXKKPQFGO-UHFFFAOYSA-N
MW556.66 g/mol
LogP4.86
Rot. Bonds11

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

1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134134300) has the molecular formula C33H36N2O6 and a molecular weight of 556.66 g/mol. Its IUPAC name is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134134300
Molecular FormulaC33H36N2O6
Molecular Weight556.66 g/mol
Exact Mass556.26
IUPAC Name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(Cc2ccc3c(c2)CCO3)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C33H36N2O6/c1-22(25-5-8-29-27(19-25)12-15-40-29)34(20-23-3-6-28-26(17-23)11-14-39-28)21-24-4-7-30(31(18-24)38-2)41-16-13-35-32(36)9-10-33(35)37/h3-8,17-19,22H,9-16,20-21H2,1-2H3
InChIKeyGKAAMMXKKPQFGO-UHFFFAOYSA-N
XLogP4.86
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.66
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 134134300) is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)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)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is COc1cc(CN(Cc2ccc3c(c2)CCO3)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is GKAAMMXKKPQFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O6/c1-22(25-5-8-29-27(19-25)12-15-40-29)34(20-23-3-6-28-26(17-23)11-14-39-28)21-24-4-7-30(31(18-24)38-2)41-16-13-35-32(36)9-10-33(35)37/h3-8,17-19,22H,9-16,20-21H2,1-2H3.
What are the key properties of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 556.66 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134134300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).