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

C8H14N4O3 — CID 87658348

IUPACN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-5(2)8(15)11-3-6(13)10-4-7(14)12-9/h1,3-4,9H2,2H3,(H,10,13)(H,11,15)(H,12,14)
InChIKeyDBALITJIRDFXKL-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.22
Rot. Bonds5

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

N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (PubChem CID 87658348) 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]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
PubChem CID87658348
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC NameN-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC(=O)NN
InChIInChI=1S/C8H14N4O3/c1-5(2)8(15)11-3-6(13)10-4-7(14)12-9/h1,3-4,9H2,2H3,(H,10,13)(H,11,15)(H,12,14)
InChIKeyDBALITJIRDFXKL-UHFFFAOYSA-N
XLogP-2.22
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide (CID 87658348) is N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC(=O)NCC(=O)NN.
What is the InChIKey of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
The InChIKey is DBALITJIRDFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(2)8(15)11-3-6(13)10-4-7(14)12-9/h1,3-4,9H2,2H3,(H,10,13)(H,11,15)(H,12,14).
What are the key properties of N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide?
N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide has a molecular weight of 214.22 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 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]-2-methylprop-2-enamide is sourced from PubChem (CID 87658348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).