9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate

C26H24N2O5 — CID 170834410

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate (PubChem CID 170834410) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate
• PubChem CID: 170834410
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1cccc2c1CNC2=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H24N2O5/c29-23(24(30)19-10-5-11-20-21(19)12-27-25(20)31)13-28-26(32)33-14-22-17-8-3-1-6-15(17)16-7-2-4-9-18(16)22/h1-11,22-24,29-30H,12-14H2,(H,27,31)(H,28,32)
• InChIKey: FUONXWMENJTVIT-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 107.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate (CID 170834410) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate is O=C(NCC(O)C(O)c1cccc2c1CNC2=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate?

The InChIKey is FUONXWMENJTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-23(24(30)19-10-5-11-20-21(19)12-27-25(20)31)13-28-26(32)33-14-22-17-8-3-1-6-15(17)16-7-2-4-9-18(16)22/h1-11,22-24,29-30H,12-14H2,(H,27,31)(H,28,32).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate has a molecular weight of 444.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1-oxo-2,3-dihydroisoindol-4-yl)propyl]carbamate is sourced from PubChem (CID 170834410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).