2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide

C11H24N4O2 — CID 55212881

IUPAC2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H24N4O2/c1-5-6-15(7-9(16)13-4)10(8(2)3)11(17)14-12/h8,10H,5-7,12H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyPHBIXTGPJAFDIZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.54
Rot. Bonds7

About 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide

2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide (PubChem CID 55212881) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
PubChem CID55212881
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C(=O)NN)C(C)C
InChIInChI=1S/C11H24N4O2/c1-5-6-15(7-9(16)13-4)10(8(2)3)11(17)14-12/h8,10H,5-7,12H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyPHBIXTGPJAFDIZ-UHFFFAOYSA-N
XLogP-0.54
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-ethyl-2-[ethyl-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]acetamide
CID 55213084
2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
CID 63584441
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
2-[(1-hydrazinyl-1-oxopropan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63578798
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
CID 55213284
2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
CID 63572653
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide (CID 55212881) is 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)C(C(=O)NN)C(C)C.
What is the InChIKey of 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide?
The InChIKey is PHBIXTGPJAFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-5-6-15(7-9(16)13-4)10(8(2)3)11(17)14-12/h8,10H,5-7,12H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide?
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide has a molecular weight of 244.34 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 55212881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).