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

C28H34N2O5 — CID 122471975

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

1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 122471975) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 122471975
• Molecular Formula: C28H34N2O5
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.25
• IUPAC Name: 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
• SMILES: COc1cc(CN(CC2CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O
• InChI: InChI=1S/C28H34N2O5/c1-19(22-6-8-24-23(16-22)11-13-34-24)29(17-20-3-4-20)18-21-5-7-25(26(15-21)33-2)35-14-12-30-27(31)9-10-28(30)32/h5-8,15-16,19-20H,3-4,9-14,17-18H2,1-2H3/t19-/m1/s1
• InChIKey: QZCADYXDYHZBQN-LJQANCHMSA-N
• XLogP: 4.13
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione (CID 122471975) is 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is COc1cc(CN(CC2CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O.

What is the InChIKey of 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?

The InChIKey is QZCADYXDYHZBQN-LJQANCHMSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-19(22-6-8-24-23(16-22)11-13-34-24)29(17-20-3-4-20)18-21-5-7-25(26(15-21)33-2)35-14-12-30-27(31)9-10-28(30)32/h5-8,15-16,19-20H,3-4,9-14,17-18H2,1-2H3/t19-/m1/s1.

What are the key properties of 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione?

1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 478.59 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[[cyclopropylmethyl-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122471975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).