2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide

C8H12N2O3 — CID 91498866

IUPAC2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC=O
InChIInChI=1S/C8H12N2O3/c1-6(2)8(13)10-5-7(12)9-3-4-11/h4H,1,3,5H2,2H3,(H,9,12)(H,10,13)
InChIKeyNKZQJNUPCHAHEN-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.01
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide

2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide (PubChem CID 91498866) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
PubChem CID91498866
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NCC=O
InChIInChI=1S/C8H12N2O3/c1-6(2)8(13)10-5-7(12)9-3-4-11/h4H,1,3,5H2,2H3,(H,9,12)(H,10,13)
InChIKeyNKZQJNUPCHAHEN-UHFFFAOYSA-N
XLogP-1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
CID 19076196
N,N'-1,2-Ethanediylbis[2-methyl-2-propenamide]
CID 10313529
Methacrylamidoacetaldehyde
CID 22616736
N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
CID 18325528
2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide
CID 18325580
N-[2-(2-aminoethylamino)ethyl]-2-methylprop-2-enamide
CID 22314645
2-methyl-N-(1-oxobutan-2-yl)prop-2-enamide
CID 22719332
N-(2,2-dimethyl-3-oxopropyl)-2-methylprop-2-enamide
CID 22723738
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
N-[2-[chloromethyl(formyl)amino]ethyl]-2-methylprop-2-enamide
CID 23335659
2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide
CID 23396055
2-methyl-N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 23525813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide (CID 91498866) is 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCC(=O)NCC=O.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?
The InChIKey is NKZQJNUPCHAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(2)8(13)10-5-7(12)9-3-4-11/h4H,1,3,5H2,2H3,(H,9,12)(H,10,13).
What are the key properties of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?
2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide has a molecular weight of 184.19 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 91498866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).