N-(6-hydrazinyl-6-oxohexyl)benzamide

C13H19N3O2 — CID 5226635

IUPACN-(6-hydrazinyl-6-oxohexyl)benzamide
SMILESNNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-16-12(17)9-5-2-6-10-15-13(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,18)(H,16,17)
InChIKeyIEAWDRGWYWGFDX-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds7

About N-(6-hydrazinyl-6-oxohexyl)benzamide

N-(6-hydrazinyl-6-oxohexyl)benzamide (PubChem CID 5226635) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(6-hydrazinyl-6-oxohexyl)benzamide.

Molecular Properties

Compound NameN-(6-hydrazinyl-6-oxohexyl)benzamide
PubChem CID5226635
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(6-hydrazinyl-6-oxohexyl)benzamide
SMILESNNC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c14-16-12(17)9-5-2-6-10-15-13(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,18)(H,16,17)
InChIKeyIEAWDRGWYWGFDX-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
10-N',10-N'-dibenzoyldecanedihydrazide
CID 175365921
[2-borono-4-[(6-hydrazinyl-6-oxohexyl)carbamoyl]phenyl]boronic acid
CID 10268690
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
trimethylsilyl 10-benzamidodecanoate
CID 10808726

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-6-oxohexyl)benzamide?
The IUPAC name of N-(6-hydrazinyl-6-oxohexyl)benzamide (CID 5226635) is N-(6-hydrazinyl-6-oxohexyl)benzamide.
What is the SMILES notation for N-(6-hydrazinyl-6-oxohexyl)benzamide?
The canonical SMILES for N-(6-hydrazinyl-6-oxohexyl)benzamide is NNC(=O)CCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-(6-hydrazinyl-6-oxohexyl)benzamide?
The InChIKey is IEAWDRGWYWGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-16-12(17)9-5-2-6-10-15-13(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,18)(H,16,17).
What are the key properties of N-(6-hydrazinyl-6-oxohexyl)benzamide?
N-(6-hydrazinyl-6-oxohexyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-6-oxohexyl)benzamide is sourced from PubChem (CID 5226635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).