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

C64H90F2N16O14 — CID 157182633

IUPAC2-(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
SMILESCN(CC(=O)CCCOCCN=[N+]=[N-])C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CN(CC(=O)O)C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CNCC(=O)N(C)CC(=O)CCCOCCN=[N+]=[N-].[2H]CF.[2H]CF.[N-]=[N+]=NCCOCCN
InChIInChI=1S/C26H31N5O5.C21H22N2O5.C11H21N5O3.C4H10N4O.2CH3F/c1-30(16-19(32)8-7-14-35-15-13-28-29-27)25(33)17-31(2)26(34)36-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24;1-22(12-20(25)26)19(24)11-23(2)21(27)28-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-13-8-11(18)16(2)9-10(17)4-3-6-19-7-5-14-15-12;5-1-3-9-4-2-7-8-6;2*1-2/h3-6,9-12,24H,7-8,13-18H2,1-2H3;3-10,18H,11-13H2,1-2H3,(H,25,26);13H,3-9H2,1-2H3;1-5H2;2*1H3/i;;;;2*1D
InChIKeyAOSYYZLTDLKYPI-SOOODHPQSA-N
MW1347.53 g/mol
LogP8.20
Rot. Bonds35

About 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

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 (PubChem CID 157182633) has the molecular formula C64H90F2N16O14 and a molecular weight of 1347.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157182633
Molecular FormulaC64H90F2N16O14
Molecular Weight1347.53 g/mol
Exact Mass1346.69
IUPAC Name2-(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
SMILESCN(CC(=O)CCCOCCN=[N+]=[N-])C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CN(CC(=O)O)C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CNCC(=O)N(C)CC(=O)CCCOCCN=[N+]=[N-].[2H]CF.[2H]CF.[N-]=[N+]=NCCOCCN
InChIInChI=1S/C26H31N5O5.C21H22N2O5.C11H21N5O3.C4H10N4O.2CH3F/c1-30(16-19(32)8-7-14-35-15-13-28-29-27)25(33)17-31(2)26(34)36-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24;1-22(12-20(25)26)19(24)11-23(2)21(27)28-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-13-8-11(18)16(2)9-10(17)4-3-6-19-7-5-14-15-12;5-1-3-9-4-2-7-8-6;2*1-2/h3-6,9-12,24H,7-8,13-18H2,1-2H3;3-10,18H,11-13H2,1-2H3,(H,25,26);13H,3-9H2,1-2H3;1-5H2;2*1H3/i;;;;2*1D
InChIKeyAOSYYZLTDLKYPI-SOOODHPQSA-N
XLogP8.20
TPSA403.47 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.53
LogP ≤ 58.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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'}

Analyze 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 with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
CID 176817151
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]-methylamino]acetic acid
CID 73291902
(2S)-5-azido-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid
CID 172994734
9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 168875179
2-[(2R)-3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]sulfanylacetic acid
CID 167320183
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
[2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane
CID 167651855
(2S)-5-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoic acid
CID 59827246
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CC(=O)CCCOCCN=[N+]=[N-])C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CN(CC(=O)O)C(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.CNCC(=O)N(C)CC(=O)CCCOCCN=[N+]=[N-].[2H]CF.[2H]CF.[N-]=[N+]=NCCOCCN.
What is the InChIKey of 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?
The InChIKey is AOSYYZLTDLKYPI-SOOODHPQSA-N. The full InChI is InChI=1S/C26H31N5O5.C21H22N2O5.C11H21N5O3.C4H10N4O.2CH3F/c1-30(16-19(32)8-7-14-35-15-13-28-29-27)25(33)17-31(2)26(34)36-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24;1-22(12-20(25)26)19(24)11-23(2)21(27)28-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-13-8-11(18)16(2)9-10(17)4-3-6-19-7-5-14-15-12;5-1-3-9-4-2-7-8-6;2*1-2/h3-6,9-12,24H,7-8,13-18H2,1-2H3;3-10,18H,11-13H2,1-2H3,(H,25,26);13H,3-9H2,1-2H3;1-5H2;2*1H3/i;;;;2*1D.
What are the key properties of 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?
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 has a molecular weight of 1347.53 g/mol, XLogP of 8.20, 35 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157182633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).