N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione

C46H73BrN6O23 — CID 158887787

About N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione

N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione (PubChem CID 158887787) has the molecular formula C46H73BrN6O23 and a molecular weight of 1158.01 g/mol. Its IUPAC name is N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione
• PubChem CID: 158887787
• Molecular Formula: C46H73BrN6O23
• Molecular Weight: 1158.01 g/mol
• Exact Mass: 1156.39
• IUPAC Name: N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione
• SMILES: CC(=O)NC1C(OCCOCCNC(=O)CBr)OC(CO)C(O)C1O.CC(=O)NC1C(OCCOCCNC(=O)CCN2C(=O)C=CC2=O)OC(CO)C(O)C1O.COCCOCCCC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C19H29N3O10.C14H25BrN2O8.C13H19NO5/c1-11(24)21-16-18(29)17(28)12(10-23)32-19(16)31-9-8-30-7-5-20-13(25)4-6-22-14(26)2-3-15(22)27;1-8(19)17-11-13(22)12(21)9(7-18)25-14(11)24-5-4-23-3-2-16-10(20)6-15;1-18-9-10-19-8-2-3-11(15)6-7-14-12(16)4-5-13(14)17/h2-3,12,16-19,23,28-29H,4-10H2,1H3,(H,20,25)(H,21,24);9,11-14,18,21-22H,2-7H2,1H3,(H,16,20)(H,17,19);4-5H,2-3,6-10H2,1H3
• InChIKey: JDVQASQZMODGCN-UHFFFAOYSA-N
• XLogP: -5.82
• TPSA: 403.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.01
LogP ≤ 5	-5.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione?

The IUPAC name of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione (CID 158887787) is N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione.

What is the SMILES notation for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione?

The canonical SMILES for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione is CC(=O)NC1C(OCCOCCNC(=O)CBr)OC(CO)C(O)C1O.CC(=O)NC1C(OCCOCCNC(=O)CCN2C(=O)C=CC2=O)OC(CO)C(O)C1O.COCCOCCCC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione?

The InChIKey is JDVQASQZMODGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O10.C14H25BrN2O8.C13H19NO5/c1-11(24)21-16-18(29)17(28)12(10-23)32-19(16)31-9-8-30-7-5-20-13(25)4-6-22-14(26)2-3-15(22)27;1-8(19)17-11-13(22)12(21)9(7-18)25-14(11)24-5-4-23-3-2-16-10(20)6-15;1-18-9-10-19-8-2-3-11(15)6-7-14-12(16)4-5-13(14)17/h2-3,12,16-19,23,28-29H,4-10H2,1H3,(H,20,25)(H,21,24);9,11-14,18,21-22H,2-7H2,1H3,(H,16,20)(H,17,19);4-5H,2-3,6-10H2,1H3.

What are the key properties of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione?

N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione has a molecular weight of 1158.01 g/mol, XLogP of -5.82, 32 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2-bromoacetamide;N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;1-[6-(2-methoxyethoxy)-3-oxohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 158887787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).