About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (PubChem CID 146673229) has the molecular formula C22H35N7O4
and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.
Molecular Properties
| Compound Name | N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide |
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| PubChem CID | 146673229 |
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| Molecular Formula | C22H35N7O4 |
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| Molecular Weight | 461.57 g/mol |
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| Exact Mass | 461.28 |
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| IUPAC Name | N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide |
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| SMILES | CNN(C)Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-] |
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| InChI | InChI=1S/C22H35N7O4/c1-24-28(2)18-20-17-19-5-3-4-6-21(19)29(20)10-7-22(30)25-8-11-31-13-15-33-16-14-32-12-9-26-27-23/h3-6,17,24H,7-16,18H2,1-2H3,(H,25,30) |
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| InChIKey | OSIXECKPIWNSBQ-UHFFFAOYSA-N |
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| XLogP | 2.07 |
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| TPSA | 125.75 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 461.57 |
| LogP ≤ 5 | 2.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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 N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (CID 146673229) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is CNN(C)Cc1cc2ccccc2n1CCC(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The InChIKey is OSIXECKPIWNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O4/c1-24-28(2)18-20-17-19-5-3-4-6-21(19)29(20)10-7-22(30)25-8-11-31-13-15-33-16-14-32-12-9-26-27-23/h3-6,17,24H,7-16,18H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide has a molecular weight of 461.57 g/mol, XLogP of 2.07, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 146673229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).