2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide

C13H20N4O3 — CID 19767348

IUPAC2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCN(CNC(=O)C(=C)C)C1=O
InChIInChI=1S/C13H20N4O3/c1-9(2)11(18)14-7-16-5-6-17(13(16)20)8-15-12(19)10(3)4/h1,3,5-8H2,2,4H3,(H,14,18)(H,15,19)
InChIKeySUKOMQOWSHDEFI-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.02
Rot. Bonds6

About 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide

2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide (PubChem CID 19767348) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
PubChem CID19767348
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCN(CNC(=O)C(=C)C)C1=O
InChIInChI=1S/C13H20N4O3/c1-9(2)11(18)14-7-16-5-6-17(13(16)20)8-15-12(19)10(3)4/h1,3,5-8H2,2,4H3,(H,14,18)(H,15,19)
InChIKeySUKOMQOWSHDEFI-UHFFFAOYSA-N
XLogP0.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide (CID 19767348) is 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide is C=C(C)C(=O)NCN1CCN(CNC(=O)C(=C)C)C1=O.
What is the InChIKey of 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide?
The InChIKey is SUKOMQOWSHDEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)11(18)14-7-16-5-6-17(13(16)20)8-15-12(19)10(3)4/h1,3,5-8H2,2,4H3,(H,14,18)(H,15,19).
What are the key properties of 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide?
2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide is sourced from PubChem (CID 19767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).