About 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide (PubChem CID 131741574) has the molecular formula C33H43N3O8
and a molecular weight of 609.72 g/mol. Its IUPAC name is 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide.
Molecular Properties
| Compound Name | 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide |
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| PubChem CID | 131741574 |
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| Molecular Formula | C33H43N3O8 |
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| Molecular Weight | 609.72 g/mol |
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| Exact Mass | 609.31 |
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| IUPAC Name | 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide |
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| SMILES | COCCC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O.O=C(O)CNNC(=O)CCCCCO |
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| InChI | InChI=1S/C25H27NO4.C8H16N2O4/c1-28-18-17-23(24(26)27)30-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(29-2)16-14-21;11-5-3-1-2-4-7(12)10-9-6-8(13)14/h3-16,23H,17-18H2,1-2H3,(H2,26,27);9,11H,1-6H2,(H,10,12)(H,13,14) |
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| InChIKey | NKLJXLZCOMVVEX-UHFFFAOYSA-N |
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| XLogP | 3.14 |
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| TPSA | 169.44 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 609.72 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The IUPAC name of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide (CID 131741574) is 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide.
What is the SMILES notation for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The canonical SMILES for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide is COCCC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O.O=C(O)CNNC(=O)CCCCCO.
What is the InChIKey of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The InChIKey is NKLJXLZCOMVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4.C8H16N2O4/c1-28-18-17-23(24(26)27)30-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(29-2)16-14-21;11-5-3-1-2-4-7(12)10-9-6-8(13)14/h3-16,23H,17-18H2,1-2H3,(H2,26,27);9,11H,1-6H2,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide has a molecular weight of 609.72 g/mol, XLogP of 3.14, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide is sourced from PubChem (CID 131741574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).