N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C21H27N5O5 — CID 163588544

About N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 163588544) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 163588544
• Molecular Formula: C21H27N5O5
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.20
• IUPAC Name: N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: [H]/N=C1\CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCN)c3C2=O)C(=O)N1
• InChI: InChI=1S/C21H27N5O5/c22-10-3-1-2-4-11-24-17(27)12-31-15-7-5-6-13-18(15)21(30)26(20(13)29)14-8-9-16(23)25-19(14)28/h5-7,14H,1-4,8-12,22H2,(H,24,27)(H2,23,25,28)
• InChIKey: GNOLCYIRMIOHFY-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 154.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The IUPAC name of N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 163588544) is N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

What is the SMILES notation for N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The canonical SMILES for N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is [H]/N=C1\CCC(N2C(=O)c3cccc(OCC(=O)NCCCCCCN)c3C2=O)C(=O)N1.

What is the InChIKey of N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The InChIKey is GNOLCYIRMIOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c22-10-3-1-2-4-11-24-17(27)12-31-15-7-5-6-13-18(15)21(30)26(20(13)29)14-8-9-16(23)25-19(14)28/h5-7,14H,1-4,8-12,22H2,(H,24,27)(H2,23,25,28).

What are the key properties of N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 429.48 g/mol, XLogP of 0.55, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminohexyl)-2-[2-(6-imino-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 163588544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).