N'-tert-butyl-N'-decanoylbenzohydrazide

C21H34N2O2 — CID 67921881

IUPACN'-tert-butyl-N'-decanoylbenzohydrazide
SMILESCCCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-5-6-7-8-9-10-14-17-19(24)23(21(2,3)4)22-20(25)18-15-12-11-13-16-18/h11-13,15-16H,5-10,14,17H2,1-4H3,(H,22,25)
InChIKeyJGEYZIIHCHDLIH-UHFFFAOYSA-N
MW346.51 g/mol
LogP5.10
Rot. Bonds9

About N'-tert-butyl-N'-decanoylbenzohydrazide

N'-tert-butyl-N'-decanoylbenzohydrazide (PubChem CID 67921881) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is N'-tert-butyl-N'-decanoylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-decanoylbenzohydrazide
PubChem CID67921881
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC NameN'-tert-butyl-N'-decanoylbenzohydrazide
SMILESCCCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-5-6-7-8-9-10-14-17-19(24)23(21(2,3)4)22-20(25)18-15-12-11-13-16-18/h11-13,15-16H,5-10,14,17H2,1-4H3,(H,22,25)
InChIKeyJGEYZIIHCHDLIH-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
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'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
CID 67921777
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
1-N,1-N',10-N,10-N'-tetrabenzoyldecanedihydrazide
CID 175112992
N'-nonanoylbenzohydrazide
CID 5163159
N'-tert-butyl-N'-[(E)-pent-2-enoyl]benzohydrazide
CID 70440415
N'-butyl-N-heptanoylbenzohydrazide
CID 174288405
1-phenylheptadecan-1-one
CID 577626
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-decanoylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-decanoylbenzohydrazide (CID 67921881) is N'-tert-butyl-N'-decanoylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-decanoylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-decanoylbenzohydrazide is CCCCCCCCCC(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-decanoylbenzohydrazide?
The InChIKey is JGEYZIIHCHDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-5-6-7-8-9-10-14-17-19(24)23(21(2,3)4)22-20(25)18-15-12-11-13-16-18/h11-13,15-16H,5-10,14,17H2,1-4H3,(H,22,25).
What are the key properties of N'-tert-butyl-N'-decanoylbenzohydrazide?
N'-tert-butyl-N'-decanoylbenzohydrazide has a molecular weight of 346.51 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-decanoylbenzohydrazide is sourced from PubChem (CID 67921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).