[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate

C28H37N3O8 — CID 134381322

About [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate

[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate (PubChem CID 134381322) has the molecular formula C28H37N3O8 and a molecular weight of 543.62 g/mol. Its IUPAC name is [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate.

Molecular Properties

• Compound Name: [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate
• PubChem CID: 134381322
• Molecular Formula: C28H37N3O8
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.26
• IUPAC Name: [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate
• SMILES: CNC(=O)OCC1c2cc(NC(=O)COCCCOC)ccc2-c2ccc(NC(=O)COC(C)CCO)cc21
• InChI: InChI=1S/C28H37N3O8/c1-18(9-10-32)38-17-27(34)31-20-6-8-22-21-7-5-19(30-26(33)16-37-12-4-11-36-3)13-23(21)25(24(22)14-20)15-39-28(35)29-2/h5-8,13-14,18,25,32H,4,9-12,15-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)
• InChIKey: YNCRHYQEWXVQNG-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 144.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate?

The IUPAC name of [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate (CID 134381322) is [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate.

What is the SMILES notation for [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate?

The canonical SMILES for [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate is CNC(=O)OCC1c2cc(NC(=O)COCCCOC)ccc2-c2ccc(NC(=O)COC(C)CCO)cc21.

What is the InChIKey of [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate?

The InChIKey is YNCRHYQEWXVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O8/c1-18(9-10-32)38-17-27(34)31-20-6-8-22-21-7-5-19(30-26(33)16-37-12-4-11-36-3)13-23(21)25(24(22)14-20)15-39-28(35)29-2/h5-8,13-14,18,25,32H,4,9-12,15-17H2,1-3H3,(H,29,35)(H,30,33)(H,31,34).

What are the key properties of [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate?

[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate has a molecular weight of 543.62 g/mol, XLogP of 2.87, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate is sourced from PubChem (CID 134381322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).