N'-(3-methylnon-1-en-4-yl)benzohydrazide

C17H26N2O — CID 12032198

IUPACN'-(3-methylnon-1-en-4-yl)benzohydrazide
SMILESC=CC(C)C(CCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-6-8-13-16(14(3)5-2)18-19-17(20)15-11-9-7-10-12-15/h5,7,9-12,14,16,18H,2,4,6,8,13H2,1,3H3,(H,19,20)
InChIKeyWZRNNQPBYTVVCE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds9

About N'-(3-methylnon-1-en-4-yl)benzohydrazide

N'-(3-methylnon-1-en-4-yl)benzohydrazide (PubChem CID 12032198) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-(3-methylnon-1-en-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-methylnon-1-en-4-yl)benzohydrazide
PubChem CID12032198
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-(3-methylnon-1-en-4-yl)benzohydrazide
SMILESC=CC(C)C(CCCCC)NNC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-6-8-13-16(14(3)5-2)18-19-17(20)15-11-9-7-10-12-15/h5,7,9-12,14,16,18H,2,4,6,8,13H2,1,3H3,(H,19,20)
InChIKeyWZRNNQPBYTVVCE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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

N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
CID 15422396
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N-(1-chloropentyl)benzamide
CID 154358932
N-oct-2-en-3-ylbenzamide
CID 69089961
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N-(2-prop-2-enoxyoctan-4-yloxy)benzamide
CID 174541568
N'-(4-methylnon-1-en-4-yl)benzohydrazide
CID 134860467

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylnon-1-en-4-yl)benzohydrazide?
The IUPAC name of N'-(3-methylnon-1-en-4-yl)benzohydrazide (CID 12032198) is N'-(3-methylnon-1-en-4-yl)benzohydrazide.
What is the SMILES notation for N'-(3-methylnon-1-en-4-yl)benzohydrazide?
The canonical SMILES for N'-(3-methylnon-1-en-4-yl)benzohydrazide is C=CC(C)C(CCCCC)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(3-methylnon-1-en-4-yl)benzohydrazide?
The InChIKey is WZRNNQPBYTVVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-6-8-13-16(14(3)5-2)18-19-17(20)15-11-9-7-10-12-15/h5,7,9-12,14,16,18H,2,4,6,8,13H2,1,3H3,(H,19,20).
What are the key properties of N'-(3-methylnon-1-en-4-yl)benzohydrazide?
N'-(3-methylnon-1-en-4-yl)benzohydrazide has a molecular weight of 274.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylnon-1-en-4-yl)benzohydrazide is sourced from PubChem (CID 12032198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).