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

C27H34N2O5 — CID 134132613

IUPAC1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(Cc2ccc3c(c2)CCO3)CC(C)C)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C27H34N2O5/c1-19(2)16-28(17-20-4-6-23-22(14-20)10-12-33-23)18-21-5-7-24(25(15-21)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,14-15,19H,8-13,16-18H2,1-3H3
InChIKeyIGNHCTJPPCPJLP-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.82
Rot. Bonds11

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

1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134132613) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134132613
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CN(Cc2ccc3c(c2)CCO3)CC(C)C)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C27H34N2O5/c1-19(2)16-28(17-20-4-6-23-22(14-20)10-12-33-23)18-21-5-7-24(25(15-21)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,14-15,19H,8-13,16-18H2,1-3H3
InChIKeyIGNHCTJPPCPJLP-UHFFFAOYSA-N
XLogP3.82
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.82
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-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 134132613) is 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is COc1cc(CN(Cc2ccc3c(c2)CCO3)CC(C)C)ccc1OCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is IGNHCTJPPCPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-19(2)16-28(17-20-4-6-23-22(14-20)10-12-33-23)18-21-5-7-24(25(15-21)32-3)34-13-11-29-26(30)8-9-27(29)31/h4-7,14-15,19H,8-13,16-18H2,1-3H3.
What are the key properties of 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 466.58 g/mol, XLogP of 3.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2,3-dihydro-1-benzofuran-5-ylmethyl(2-methylpropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134132613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).