2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide

C13H19N3O3 — CID 118486046

IUPAC2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide
SMILESC=C(C)C(=O)NN(C(=O)C(=C)C)N(C)C(=O)C(=C)C
InChIInChI=1S/C13H19N3O3/c1-8(2)11(17)14-16(13(19)10(5)6)15(7)12(18)9(3)4/h1,3,5H2,2,4,6-7H3,(H,14,17)
InChIKeyOSGJWOAUYADBCL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds3

About 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide

2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide (PubChem CID 118486046) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide
PubChem CID118486046
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide
SMILESC=C(C)C(=O)NN(C(=O)C(=C)C)N(C)C(=O)C(=C)C
InChIInChI=1S/C13H19N3O3/c1-8(2)11(17)14-16(13(19)10(5)6)15(7)12(18)9(3)4/h1,3,5H2,2,4,6-7H3,(H,14,17)
InChIKeyOSGJWOAUYADBCL-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide?
The IUPAC name of 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide (CID 118486046) is 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide?
The canonical SMILES for 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide is C=C(C)C(=O)NN(C(=O)C(=C)C)N(C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide?
The InChIKey is OSGJWOAUYADBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)11(17)14-16(13(19)10(5)6)15(7)12(18)9(3)4/h1,3,5H2,2,4,6-7H3,(H,14,17).
What are the key properties of 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide?
2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[methyl(2-methylprop-2-enoyl)amino]-N-(2-methylprop-2-enoylamino)prop-2-enamide is sourced from PubChem (CID 118486046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).