N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide

C8H14N4O3 — CID 141361486

IUPACN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-3-8(15)12(2)5-7(14)10-4-6(13)11-9/h3H,1,4-5,9H2,2H3,(H,10,14)(H,11,13)
InChIKeyBBHSAXKZYKITDN-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.26
Rot. Bonds5

About N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 141361486) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID141361486
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-3-8(15)12(2)5-7(14)10-4-6(13)11-9/h3H,1,4-5,9H2,2H3,(H,10,14)(H,11,13)
InChIKeyBBHSAXKZYKITDN-UHFFFAOYSA-N
XLogP-2.26
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.26
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(aminoethylamino) ethyl maleamide
CID 129826976
2-hydrazinyl-2-oxo-N-(prop-2-en-1-yl)acetamide
CID 5150832
2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 23557818
N-but-2-enyl-2-hydrazinyl-2-oxoacetamide
CID 54278312
Glycine, N-(2-methyl-1-oxo-2-propen-1-yl)glycyl-, hydrazide
CID 87658348
N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
CID 88527441
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442569
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
N'-[2-(diethylamino)ethyl]prop-2-enehydrazide
CID 150238955
N-(2-hydrazinylethyl)prop-2-enamide
CID 151723314
ethane;N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
CID 153539384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 141361486) is N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NCC(=O)NN.
What is the InChIKey of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is BBHSAXKZYKITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-3-8(15)12(2)5-7(14)10-4-6(13)11-9/h3H,1,4-5,9H2,2H3,(H,10,14)(H,11,13).
What are the key properties of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 214.22 g/mol, XLogP of -2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 141361486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).