9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate

C23H28N4O5 — CID 168875179

IUPAC9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28N4O5/c1-27(11-13-30-15-17-31-16-14-29-12-10-25-26-24)23(28)32-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,22H,10-17H2,1H3
InChIKeyGRDQITVPWLFFOC-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.18
Rot. Bonds13

About 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate

9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (PubChem CID 168875179) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
PubChem CID168875179
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28N4O5/c1-27(11-13-30-15-17-31-16-14-29-12-10-25-26-24)23(28)32-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,22H,10-17H2,1H3
InChIKeyGRDQITVPWLFFOC-UHFFFAOYSA-N
XLogP4.18
TPSA105.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (CID 168875179) is 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is CN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The InChIKey is GRDQITVPWLFFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-27(11-13-30-15-17-31-16-14-29-12-10-25-26-24)23(28)32-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,22H,10-17H2,1H3.
What are the key properties of 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate has a molecular weight of 440.50 g/mol, XLogP of 4.18, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 168875179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).