N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride

C19H23ClN4O7 — CID 163297615

About N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride

N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride (PubChem CID 163297615) has the molecular formula C19H23ClN4O7 and a molecular weight of 454.87 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride
• PubChem CID: 163297615
• Molecular Formula: C19H23ClN4O7
• Molecular Weight: 454.87 g/mol
• Exact Mass: 454.13
• IUPAC Name: N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride
• SMILES: Cl.NCCOCCNC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C19H22N4O7.ClH/c20-5-7-29-8-6-21-16(25)10-30-11-1-2-12-13(9-11)19(28)23(18(12)27)14-3-4-15(24)22-17(14)26;/h1-2,9,14H,3-8,10,20H2,(H,21,25)(H,22,24,26);1H
• InChIKey: FTKQCLLIOQIIOO-UHFFFAOYSA-N
• XLogP: -1.02
• TPSA: 157.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.87
LogP ≤ 5	-1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride?

The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride (CID 163297615) is N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride.

What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride?

The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride is Cl.NCCOCCNC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride?

The InChIKey is FTKQCLLIOQIIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7.ClH/c20-5-7-29-8-6-21-16(25)10-30-11-1-2-12-13(9-11)19(28)23(18(12)27)14-3-4-15(24)22-17(14)26;/h1-2,9,14H,3-8,10,20H2,(H,21,25)(H,22,24,26);1H.

What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride?

N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride has a molecular weight of 454.87 g/mol, XLogP of -1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride is sourced from PubChem (CID 163297615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).