N'-(4-methylnon-1-en-4-yl)benzohydrazide

C17H26N2O — CID 134860467

IUPACN'-(4-methylnon-1-en-4-yl)benzohydrazide
SMILESC=CCC(C)(CCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-6-10-14-17(3,13-5-2)19-18-16(20)15-11-8-7-9-12-15/h5,7-9,11-12,19H,2,4,6,10,13-14H2,1,3H3,(H,18,20)
InChIKeyMPDWYZOIYPJSQL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.84
Rot. Bonds9

About N'-(4-methylnon-1-en-4-yl)benzohydrazide

N'-(4-methylnon-1-en-4-yl)benzohydrazide (PubChem CID 134860467) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-(4-methylnon-1-en-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-methylnon-1-en-4-yl)benzohydrazide
PubChem CID134860467
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-(4-methylnon-1-en-4-yl)benzohydrazide
SMILESC=CCC(C)(CCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-6-10-14-17(3,13-5-2)19-18-16(20)15-11-8-7-9-12-15/h5,7-9,11-12,19H,2,4,6,10,13-14H2,1,3H3,(H,18,20)
InChIKeyMPDWYZOIYPJSQL-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134860431
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CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
CID 134124725
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
N'-(3-methylnon-1-en-4-yl)benzohydrazide
CID 12032198
N-[1-(tert-butylamino)-2-methyl-1-oxoheptan-2-yl]-N-prop-2-enylbenzamide
CID 101389995
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylnon-1-en-4-yl)benzohydrazide?
The IUPAC name of N'-(4-methylnon-1-en-4-yl)benzohydrazide (CID 134860467) is N'-(4-methylnon-1-en-4-yl)benzohydrazide.
What is the SMILES notation for N'-(4-methylnon-1-en-4-yl)benzohydrazide?
The canonical SMILES for N'-(4-methylnon-1-en-4-yl)benzohydrazide is C=CCC(C)(CCCCC)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(4-methylnon-1-en-4-yl)benzohydrazide?
The InChIKey is MPDWYZOIYPJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-6-10-14-17(3,13-5-2)19-18-16(20)15-11-8-7-9-12-15/h5,7-9,11-12,19H,2,4,6,10,13-14H2,1,3H3,(H,18,20).
What are the key properties of N'-(4-methylnon-1-en-4-yl)benzohydrazide?
N'-(4-methylnon-1-en-4-yl)benzohydrazide has a molecular weight of 274.41 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylnon-1-en-4-yl)benzohydrazide is sourced from PubChem (CID 134860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).