N-butyl-2-hydrazinyl-2-oxoacetamide

C6H13N3O2 — CID 17201939

IUPACN-butyl-2-hydrazinyl-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)NN
InChIInChI=1S/C6H13N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyUXQRCVXCOZXISX-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.11
Rot. Bonds3

About N-butyl-2-hydrazinyl-2-oxoacetamide

N-butyl-2-hydrazinyl-2-oxoacetamide (PubChem CID 17201939) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-butyl-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-hydrazinyl-2-oxoacetamide
PubChem CID17201939
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-butyl-2-hydrazinyl-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)NN
InChIInChI=1S/C6H13N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-4,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyUXQRCVXCOZXISX-UHFFFAOYSA-N
XLogP-1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.11
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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Related Compounds

2-amino-N-(2-hydrazinyl-2-oxoethyl)acetamide
CID 20467008
2-amino-N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]acetamide
CID 44350767
2-amino-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]acetamide
CID 73350100
N-cyclopropyl-1-(hydrazinecarbonyl)formamide
CID 4962494
N-(2-hydrazinyl-2-oxoethyl)acetamide
CID 456794
Fluoroacetyl-l-alanine hydrazide
CID 129730064
Iminodiacetic acid hydrazide
CID 12091188
Acetyl l-alanine hydrazide
CID 55219590
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-2-fluoroacetamide
CID 23554310
N-(2-fluoroethyl)-2-hydrazinyl-2-oxoacetamide
CID 54063162
2-Hydrazineyl-2-oxo-N-pentylacetamide
CID 43163871
N-Hexyl-2-hydrazineyl-2-oxoacetamide
CID 54005677

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-butyl-2-hydrazinyl-2-oxoacetamide (CID 17201939) is N-butyl-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-butyl-2-hydrazinyl-2-oxoacetamide is CCCCNC(=O)C(=O)NN.
What is the InChIKey of N-butyl-2-hydrazinyl-2-oxoacetamide?
The InChIKey is UXQRCVXCOZXISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-4,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N-butyl-2-hydrazinyl-2-oxoacetamide?
N-butyl-2-hydrazinyl-2-oxoacetamide has a molecular weight of 159.19 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 17201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).