9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate

C34H31N3O5 — CID 59362317

About 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate

9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate (PubChem CID 59362317) has the molecular formula C34H31N3O5 and a molecular weight of 561.64 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate
• PubChem CID: 59362317
• Molecular Formula: C34H31N3O5
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.23
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate
• SMILES: O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C34H31N3O5/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39)
• InChIKey: QGIYLJXADWFUFK-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 101.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate (CID 59362317) is 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate is O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

The InChIKey is QGIYLJXADWFUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O5/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate?

9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate has a molecular weight of 561.64 g/mol, XLogP of 6.01, 11 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-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 59362317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).