About [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium
[(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium (PubChem CID 86308285) has the molecular formula C20H30N4O3+2
and a molecular weight of 374.49 g/mol. Its IUPAC name is [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium.
Molecular Properties
| Compound Name | [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium |
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| PubChem CID | 86308285 |
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| Molecular Formula | C20H30N4O3+2 |
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| Molecular Weight | 374.49 g/mol |
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| Exact Mass | 374.23 |
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| IUPAC Name | [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium |
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| SMILES | COc1cc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCC[NH3+])cc2ccccc12 |
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| InChI | InChI=1S/C20H28N4O3/c1-13(23-20(26)17(22)9-5-6-10-21)19(25)24-15-11-14-7-3-4-8-16(14)18(12-15)27-2/h3-4,7-8,11-13,17H,5-6,9-10,21-22H2,1-2H3,(H,23,26)(H,24,25)/p+2/t13-,17+/m0/s1 |
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| InChIKey | NVFAVOGMBNAYET-SUMWQHHRSA-P |
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| XLogP | 0.31 |
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| TPSA | 122.71 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 27 |
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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 | 374.49 |
| LogP ≤ 5 | 0.31 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium with MolForge
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Frequently Asked Questions
What is the IUPAC name of [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium?
The IUPAC name of [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium (CID 86308285) is [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium.
What is the SMILES notation for [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium?
The canonical SMILES for [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium is COc1cc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCC[NH3+])cc2ccccc12.
What is the InChIKey of [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium?
The InChIKey is NVFAVOGMBNAYET-SUMWQHHRSA-P. The full InChI is InChI=1S/C20H28N4O3/c1-13(23-20(26)17(22)9-5-6-10-21)19(25)24-15-11-14-7-3-4-8-16(14)18(12-15)27-2/h3-4,7-8,11-13,17H,5-6,9-10,21-22H2,1-2H3,(H,23,26)(H,24,25)/p+2/t13-,17+/m0/s1.
What are the key properties of [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium?
[(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium has a molecular weight of 374.49 g/mol, XLogP of 0.31, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-azaniumyl-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]azanium is sourced from PubChem (CID 86308285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).