9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate

C37H45N7O6 — CID 146673230

IUPAC9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate
SMILESCN(Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H45N7O6/c1-42(43(2)37(46)50-27-34-32-12-6-4-10-30(32)31-11-5-7-13-33(31)34)26-29-25-28-9-3-8-14-35(28)44(29)18-15-36(45)39-16-19-47-21-23-49-24-22-48-20-17-40-41-38/h3-14,25,34H,15-24,26-27H2,1-2H3,(H,39,45)
InChIKeyZYYMOUQJPILDAJ-UHFFFAOYSA-N
MW683.81 g/mol
LogP5.74
Rot. Bonds20

About 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate

9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate (PubChem CID 146673230) has the molecular formula C37H45N7O6 and a molecular weight of 683.81 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate
PubChem CID146673230
Molecular FormulaC37H45N7O6
Molecular Weight683.81 g/mol
Exact Mass683.34
IUPAC Name9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate
SMILESCN(Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H45N7O6/c1-42(43(2)37(46)50-27-34-32-12-6-4-10-30(32)31-11-5-7-13-33(31)34)26-29-25-28-9-3-8-14-35(28)44(29)18-15-36(45)39-16-19-47-21-23-49-24-22-48-20-17-40-41-38/h3-14,25,34H,15-24,26-27H2,1-2H3,(H,39,45)
InChIKeyZYYMOUQJPILDAJ-UHFFFAOYSA-N
XLogP5.74
TPSA143.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate (CID 146673230) is 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate is CN(Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate?
The InChIKey is ZYYMOUQJPILDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N7O6/c1-42(43(2)37(46)50-27-34-32-12-6-4-10-30(32)31-11-5-7-13-33(31)34)26-29-25-28-9-3-8-14-35(28)44(29)18-15-36(45)39-16-19-47-21-23-49-24-22-48-20-17-40-41-38/h3-14,25,34H,15-24,26-27H2,1-2H3,(H,39,45).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate?
9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate has a molecular weight of 683.81 g/mol, XLogP of 5.74, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[1-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]indol-2-yl]methyl-methylamino]-N-methylcarbamate is sourced from PubChem (CID 146673230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).