1-N',9-N'-di(heptanoyl)nonanedihydrazide

C23H44N4O4 — CID 154340616

IUPAC1-N',9-N'-di(heptanoyl)nonanedihydrazide
SMILESCCCCCCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCCCCC
InChIInChI=1S/C23H44N4O4/c1-3-5-7-12-16-20(28)24-26-22(30)18-14-10-9-11-15-19-23(31)27-25-21(29)17-13-8-6-4-2/h3-19H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyZVHQFRVSLFEGFT-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.95
Rot. Bonds18

About 1-N',9-N'-di(heptanoyl)nonanedihydrazide

1-N',9-N'-di(heptanoyl)nonanedihydrazide (PubChem CID 154340616) has the molecular formula C23H44N4O4 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-N',9-N'-di(heptanoyl)nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-di(heptanoyl)nonanedihydrazide
PubChem CID154340616
Molecular FormulaC23H44N4O4
Molecular Weight440.63 g/mol
Exact Mass440.34
IUPAC Name1-N',9-N'-di(heptanoyl)nonanedihydrazide
SMILESCCCCCCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCCCCC
InChIInChI=1S/C23H44N4O4/c1-3-5-7-12-16-20(28)24-26-22(30)18-14-10-9-11-15-19-23(31)27-25-21(29)17-13-8-6-4-2/h3-19H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyZVHQFRVSLFEGFT-UHFFFAOYSA-N
XLogP3.95
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-octanoylhydrazinyl)-2-oxoacetic acid
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5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
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1-methyl-3-(octadecanoylamino)thiourea
CID 4189426
N-decanoyldecanamide
CID 87914075
N-methylheptacosanamide
CID 18175889
N-octanoyloctanamide;hydrobromide
CID 175059894
N-hydroxytridecanamide
CID 14122613
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-di(heptanoyl)nonanedihydrazide?
The IUPAC name of 1-N',9-N'-di(heptanoyl)nonanedihydrazide (CID 154340616) is 1-N',9-N'-di(heptanoyl)nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-di(heptanoyl)nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-di(heptanoyl)nonanedihydrazide is CCCCCCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCCCCC.
What is the InChIKey of 1-N',9-N'-di(heptanoyl)nonanedihydrazide?
The InChIKey is ZVHQFRVSLFEGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O4/c1-3-5-7-12-16-20(28)24-26-22(30)18-14-10-9-11-15-19-23(31)27-25-21(29)17-13-8-6-4-2/h3-19H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 1-N',9-N'-di(heptanoyl)nonanedihydrazide?
1-N',9-N'-di(heptanoyl)nonanedihydrazide has a molecular weight of 440.63 g/mol, XLogP of 3.95, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-di(heptanoyl)nonanedihydrazide is sourced from PubChem (CID 154340616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).