9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate

C37H42N2O5Si — CID 58841936

About 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 58841936) has the molecular formula C37H42N2O5Si and a molecular weight of 622.84 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
• PubChem CID: 58841936
• Molecular Formula: C37H42N2O5Si
• Molecular Weight: 622.84 g/mol
• Exact Mass: 622.29
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
• SMILES: CC(C)(C)[Si](OCCCNC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C37H42N2O5Si/c1-37(2,3)45(27-15-6-4-7-16-27,28-17-8-5-9-18-28)44-24-14-23-38-35(41)34(25-40)39-36(42)43-26-33-31-21-12-10-19-29(31)30-20-11-13-22-32(30)33/h4-13,15-22,33-34,40H,14,23-26H2,1-3H3,(H,38,41)(H,39,42)
• InChIKey: XUUFKOUJSZCSRD-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 96.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.84
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 58841936) is 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate is CC(C)(C)[Si](OCCCNC(=O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?

The InChIKey is XUUFKOUJSZCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N2O5Si/c1-37(2,3)45(27-15-6-4-7-16-27,28-17-8-5-9-18-28)44-24-14-23-38-35(41)34(25-40)39-36(42)43-26-33-31-21-12-10-19-29(31)30-20-11-13-22-32(30)33/h4-13,15-22,33-34,40H,14,23-26H2,1-3H3,(H,38,41)(H,39,42).

What are the key properties of 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 622.84 g/mol, XLogP of 4.97, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 58841936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).