N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide

C16H24N2O — CID 15422396

IUPACN'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
SMILESC=C[C@H](C)[C@@H](CC(C)C)NNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-5-13(4)15(11-12(2)3)17-18-16(19)14-9-7-6-8-10-14/h5-10,12-13,15,17H,1,11H2,2-4H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyHGZNHMNCWAUFMW-DZGCQCFKSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds7

About N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide

N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide (PubChem CID 15422396) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
PubChem CID15422396
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
SMILESC=C[C@H](C)[C@@H](CC(C)C)NNC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-5-13(4)15(11-12(2)3)17-18-16(19)14-9-7-6-8-10-14/h5-10,12-13,15,17H,1,11H2,2-4H3,(H,18,19)/t13-,15+/m0/s1
InChIKeyHGZNHMNCWAUFMW-DZGCQCFKSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylnon-1-en-4-yl)benzohydrazide
CID 12032198
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
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N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
CID 23154580
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-hydroxy-2-methyl-1-phenylhex-5-en-1-one
CID 139841493
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
CID 101142591
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
CID 172741610

Frequently Asked Questions

What is the IUPAC name of N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide?
The IUPAC name of N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide (CID 15422396) is N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide.
What is the SMILES notation for N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide?
The canonical SMILES for N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide is C=C[C@H](C)[C@@H](CC(C)C)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide?
The InChIKey is HGZNHMNCWAUFMW-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-13(4)15(11-12(2)3)17-18-16(19)14-9-7-6-8-10-14/h5-10,12-13,15,17H,1,11H2,2-4H3,(H,18,19)/t13-,15+/m0/s1.
What are the key properties of N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide?
N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide has a molecular weight of 260.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide is sourced from PubChem (CID 15422396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).