N-hexyl-2-hydrazinyl-2-oxoacetamide

C8H17N3O2 — CID 54005677

IUPACN-hexyl-2-hydrazinyl-2-oxoacetamide
SMILESCCCCCCNC(=O)C(=O)NN
InChIInChI=1S/C8H17N3O2/c1-2-3-4-5-6-10-7(12)8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyKOSIUTNTZKSNJN-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.33
Rot. Bonds5

About N-hexyl-2-hydrazinyl-2-oxoacetamide

N-hexyl-2-hydrazinyl-2-oxoacetamide (PubChem CID 54005677) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-hexyl-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-hexyl-2-hydrazinyl-2-oxoacetamide
PubChem CID54005677
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-hexyl-2-hydrazinyl-2-oxoacetamide
SMILESCCCCCCNC(=O)C(=O)NN
InChIInChI=1S/C8H17N3O2/c1-2-3-4-5-6-10-7(12)8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyKOSIUTNTZKSNJN-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.33
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-hexyl-2-hydrazinyl-2-oxoacetamide (CID 54005677) is N-hexyl-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-hexyl-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-hexyl-2-hydrazinyl-2-oxoacetamide is CCCCCCNC(=O)C(=O)NN.
What is the InChIKey of N-hexyl-2-hydrazinyl-2-oxoacetamide?
The InChIKey is KOSIUTNTZKSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-3-4-5-6-10-7(12)8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-hexyl-2-hydrazinyl-2-oxoacetamide?
N-hexyl-2-hydrazinyl-2-oxoacetamide has a molecular weight of 187.24 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 54005677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).