9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate

C23H29N5O4 — CID 176817151

IUPAC9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
SMILES[N-]=[N+]=NCCOCCOCCN(CCN)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29N5O4/c24-9-11-28(12-14-31-16-15-30-13-10-26-27-25)23(29)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17,24H2
InChIKeyOWMJQFXHAHBAJW-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.54
Rot. Bonds13

About 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate

9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate (PubChem CID 176817151) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
PubChem CID176817151
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
SMILES[N-]=[N+]=NCCOCCOCCN(CCN)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H29N5O4/c24-9-11-28(12-14-31-16-15-30-13-10-26-27-25)23(29)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17,24H2
InChIKeyOWMJQFXHAHBAJW-UHFFFAOYSA-N
XLogP3.54
TPSA122.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
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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Related Compounds

9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 168875179
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-(methylcarbamoyloxy)ethyl]carbamate
CID 178159554
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 152751889
2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid
CID 170900524
(2S)-5-azido-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid
CID 172994734
benzyl N-(2-aminoethyl)-N-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]carbamate
CID 170591204
2-(2-azidoethoxy)ethanamine;N-[5-(2-azidoethoxy)-2-oxopentyl]-N-methyl-2-(methylamino)acetamide;deuterio(fluoro)methane;2-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetic acid;9H-fluoren-9-ylmethyl N-[2-[[5-(2-azidoethoxy)-2-oxopentyl]-methylamino]-2-oxoethyl]-N-methylcarbamate
CID 157182633
2-[(2R)-3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]sulfanylacetic acid
CID 167320183

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate (CID 176817151) is 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate is [N-]=[N+]=NCCOCCOCCN(CCN)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is OWMJQFXHAHBAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c24-9-11-28(12-14-31-16-15-30-13-10-26-27-25)23(29)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17,24H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate?
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 439.52 g/mol, XLogP of 3.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 176817151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).