9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate

C44H68N2O16 — CID 155400221

IUPAC9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C44H68N2O16/c1-50-14-15-52-18-19-54-22-23-56-26-27-58-30-31-60-34-35-61-33-32-59-29-28-57-25-24-55-21-20-53-17-16-51-13-10-45-43(48)36-46(11-12-47)44(49)62-37-42-40-8-4-2-6-38(40)39-7-3-5-9-41(39)42/h2-9,12,42H,10-11,13-37H2,1H3,(H,45,48)
InChIKeyOKMJSDGSVZVAFI-UHFFFAOYSA-N
MW881.03 g/mol
LogP2.38
Rot. Bonds42

About 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate (PubChem CID 155400221) has the molecular formula C44H68N2O16 and a molecular weight of 881.03 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate
PubChem CID155400221
Molecular FormulaC44H68N2O16
Molecular Weight881.03 g/mol
Exact Mass880.46
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C44H68N2O16/c1-50-14-15-52-18-19-54-22-23-56-26-27-58-30-31-60-34-35-61-33-32-59-29-28-57-25-24-55-21-20-53-17-16-51-13-10-45-43(48)36-46(11-12-47)44(49)62-37-42-40-8-4-2-6-38(40)39-7-3-5-9-41(39)42/h2-9,12,42H,10-11,13-37H2,1H3,(H,45,48)
InChIKeyOKMJSDGSVZVAFI-UHFFFAOYSA-N
XLogP2.38
TPSA186.47 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.03
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
2-[[2-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylazanium
CID 123970093
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 170356529
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
CID 67605686
3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-(2-oxoethyl)amino]acetyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170597078
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 135271738
tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate
CID 177038998
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 172529557
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-(2-oxoethyl)amino]acetyl]-methylamino]ethoxy]ethoxy]ethoxy]propanoic acid;prop-2-enyl 3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]propanoate
CID 170597077

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate (CID 155400221) is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate?
The InChIKey is OKMJSDGSVZVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H68N2O16/c1-50-14-15-52-18-19-54-22-23-56-26-27-58-30-31-60-34-35-61-33-32-59-29-28-57-25-24-55-21-20-53-17-16-51-13-10-45-43(48)36-46(11-12-47)44(49)62-37-42-40-8-4-2-6-38(40)39-7-3-5-9-41(39)42/h2-9,12,42H,10-11,13-37H2,1H3,(H,45,48).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate?
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate has a molecular weight of 881.03 g/mol, XLogP of 2.38, 42 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 155400221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).