9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane

C53H83N3O19 — CID 175775846

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane

9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane (PubChem CID 175775846) has the molecular formula C53H83N3O19 and a molecular weight of 1066.25 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane
• PubChem CID: 175775846
• Molecular Formula: C53H83N3O19
• Molecular Weight: 1066.25 g/mol
• Exact Mass: 1065.56
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane
• SMILES: C.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1C(=O)CCC1=O
• InChI: InChI=1S/C52H79N3O19.CH4/c1-61-18-19-63-22-23-65-26-27-67-30-31-69-34-35-71-38-39-72-37-36-70-33-32-68-29-28-66-25-24-64-21-20-62-17-15-49(58)53-16-7-6-12-46(51(59)55-74-50-47(56)13-14-48(50)57)54-52(60)73-40-45-43-10-4-2-8-41(43)42-9-3-5-11-44(42)45;/h2-5,8-11,45-46,50H,6-7,12-40H2,1H3,(H,53,58)(H,54,60)(H,55,59);1H4/t46-;/m0./s1
• InChIKey: NKRXAOWHAVKHPS-IDCINFOJSA-N
• XLogP: 3.38
• TPSA: 250.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 47
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.25
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane (CID 175775846) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane is C.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC1C(=O)CCC1=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane?

The InChIKey is NKRXAOWHAVKHPS-IDCINFOJSA-N. The full InChI is InChI=1S/C52H79N3O19.CH4/c1-61-18-19-63-22-23-65-26-27-67-30-31-69-34-35-71-38-39-72-37-36-70-33-32-68-29-28-66-25-24-64-21-20-62-17-15-49(58)53-16-7-6-12-46(51(59)55-74-50-47(56)13-14-48(50)57)54-52(60)73-40-45-43-10-4-2-8-41(43)42-9-3-5-11-44(42)45;/h2-5,8-11,45-46,50H,6-7,12-40H2,1H3,(H,53,58)(H,54,60)(H,55,59);1H4/t46-;/m0./s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane?

9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane has a molecular weight of 1066.25 g/mol, XLogP of 3.38, 47 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[(2,5-dioxocyclopentyl)oxyamino]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]carbamate;methane is sourced from PubChem (CID 175775846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).