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

C27H32N2O6 — CID 134131840

IUPAC1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(CC(C)=O)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C27H32N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,19H,8-13,16-17H2,1-3H3
InChIKeyRABOPLLVXPVVAT-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.31
Rot. Bonds11

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

1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134131840) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)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-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134131840
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(CC(C)=O)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C27H32N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,19H,8-13,16-17H2,1-3H3
InChIKeyRABOPLLVXPVVAT-UHFFFAOYSA-N
XLogP3.31
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)ethyl-(2-oxopropyl)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-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 134131840) is 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)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-oxopropyl)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-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is COc1cc(CN(CC(C)=O)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-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is RABOPLLVXPVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,19H,8-13,16-17H2,1-3H3.
What are the key properties of 1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 480.56 g/mol, XLogP of 3.31, 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-oxopropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134131840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).