1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide

C25H32N4O6 — CID 3123941

IUPAC1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N4O6/c1-34-20-14-10-18(11-15-20)24(32)28-26-22(30)8-6-4-3-5-7-9-23(31)27-29-25(33)19-12-16-21(35-2)17-13-19/h10-17H,3-9H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeyXFCYFSSRDWELMG-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.66
Rot. Bonds12

About 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide

1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide (PubChem CID 3123941) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
PubChem CID3123941
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H32N4O6/c1-34-20-14-10-18(11-15-20)24(32)28-26-22(30)8-6-4-3-5-7-9-23(31)27-29-25(33)19-12-16-21(35-2)17-13-19/h10-17H,3-9H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeyXFCYFSSRDWELMG-UHFFFAOYSA-N
XLogP2.66
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
[2-(4-methoxyphenyl)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17261455
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
4-methoxy-N-pentanoylbenzamide
CID 175364766

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide (CID 3123941) is 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide is COc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide?
The InChIKey is XFCYFSSRDWELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-34-20-14-10-18(11-15-20)24(32)28-26-22(30)8-6-4-3-5-7-9-23(31)27-29-25(33)19-12-16-21(35-2)17-13-19/h10-17H,3-9H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide?
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide has a molecular weight of 484.55 g/mol, XLogP of 2.66, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide is sourced from PubChem (CID 3123941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).