N'-benzylhexadecanehydrazide

C23H40N2O — CID 154391297

IUPACN'-benzylhexadecanehydrazide
SMILESCCCCCCCCCCCCCCCC(=O)NNCc1ccccc1
InChIInChI=1S/C23H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,24H,2-13,17,20-21H2,1H3,(H,25,26)
InChIKeySPDOMPAHUKIITR-UHFFFAOYSA-N
MW360.59 g/mol
LogP6.29
Rot. Bonds17

About N'-benzylhexadecanehydrazide

N'-benzylhexadecanehydrazide (PubChem CID 154391297) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is N'-benzylhexadecanehydrazide.

Molecular Properties

Compound NameN'-benzylhexadecanehydrazide
PubChem CID154391297
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC NameN'-benzylhexadecanehydrazide
SMILESCCCCCCCCCCCCCCCC(=O)NNCc1ccccc1
InChIInChI=1S/C23H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,24H,2-13,17,20-21H2,1H3,(H,25,26)
InChIKeySPDOMPAHUKIITR-UHFFFAOYSA-N
XLogP6.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
N-benzylundecanamide
CID 5078198
1-benzyl-3-(hexanoylamino)thiourea
CID 40511757
N-(2-phenylacetyl)octadecanamide
CID 175258087
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-benzyl-4,4-dimethylpentanehydrazide
CID 22069131
N'-nonanoylbenzohydrazide
CID 5163159
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
1-(octanoylamino)-3-phenylurea
CID 5130887
N-phenylmethoxyhexanamide
CID 60717350

Frequently Asked Questions

What is the IUPAC name of N'-benzylhexadecanehydrazide?
The IUPAC name of N'-benzylhexadecanehydrazide (CID 154391297) is N'-benzylhexadecanehydrazide.
What is the SMILES notation for N'-benzylhexadecanehydrazide?
The canonical SMILES for N'-benzylhexadecanehydrazide is CCCCCCCCCCCCCCCC(=O)NNCc1ccccc1.
What is the InChIKey of N'-benzylhexadecanehydrazide?
The InChIKey is SPDOMPAHUKIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,24H,2-13,17,20-21H2,1H3,(H,25,26).
What are the key properties of N'-benzylhexadecanehydrazide?
N'-benzylhexadecanehydrazide has a molecular weight of 360.59 g/mol, XLogP of 6.29, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylhexadecanehydrazide is sourced from PubChem (CID 154391297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).