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

C23H26N2O5 — CID 134134840

IUPAC1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C23H26N2O5/c1-28-21-13-17(15-24-14-16-2-4-19-18(12-16)8-10-29-19)3-5-20(21)30-11-9-25-22(26)6-7-23(25)27/h2-5,12-13,24H,6-11,14-15H2,1H3
InChIKeyWXVMUGNWNLQHNN-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.45
Rot. Bonds9

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

1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 134134840) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID134134840
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
SMILESCOc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
InChIInChI=1S/C23H26N2O5/c1-28-21-13-17(15-24-14-16-2-4-19-18(12-16)8-10-29-19)3-5-20(21)30-11-9-25-22(26)6-7-23(25)27/h2-5,12-13,24H,6-11,14-15H2,1H3
InChIKeyWXVMUGNWNLQHNN-UHFFFAOYSA-N
XLogP2.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'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-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 134134840) is 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is COc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is WXVMUGNWNLQHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-21-13-17(15-24-14-16-2-4-19-18(12-16)8-10-29-19)3-5-20(21)30-11-9-25-22(26)6-7-23(25)27/h2-5,12-13,24H,6-11,14-15H2,1H3.
What are the key properties of 1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 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-ylmethylamino)methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134134840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).