1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide

C23H28N4O8 — CID 3148946

IUPAC1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C23H28N4O8/c1-32-16-8-3-5-10-18(16)34-14-22(30)26-24-20(28)12-7-13-21(29)25-27-23(31)15-35-19-11-6-4-9-17(19)33-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyRVKXOIXABNMYEL-UHFFFAOYSA-N
MW488.50 g/mol
LogP0.63
Rot. Bonds12

About 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide

1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide (PubChem CID 3148946) has the molecular formula C23H28N4O8 and a molecular weight of 488.50 g/mol. Its IUPAC name is 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide.

Molecular Properties

Compound Name1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide
PubChem CID3148946
Molecular FormulaC23H28N4O8
Molecular Weight488.50 g/mol
Exact Mass488.19
IUPAC Name1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C23H28N4O8/c1-32-16-8-3-5-10-18(16)34-14-22(30)26-24-20(28)12-7-13-21(29)25-27-23(31)15-35-19-11-6-4-9-17(19)33-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyRVKXOIXABNMYEL-UHFFFAOYSA-N
XLogP0.63
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide?
The IUPAC name of 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide (CID 3148946) is 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide.
What is the SMILES notation for 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide?
The canonical SMILES for 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide is COc1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1OC.
What is the InChIKey of 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide?
The InChIKey is RVKXOIXABNMYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O8/c1-32-16-8-3-5-10-18(16)34-14-22(30)26-24-20(28)12-7-13-21(29)25-27-23(31)15-35-19-11-6-4-9-17(19)33-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide?
1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide has a molecular weight of 488.50 g/mol, XLogP of 0.63, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',5-N'-bis[2-(2-methoxyphenoxy)acetyl]pentanedihydrazide is sourced from PubChem (CID 3148946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).