N-[(benzylamino)carbonyl]-2-methylacrylamide

HCID 639951

Notes Reactions

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Basic information

Standard SMILES: C=C(C)C(=O)NC(=O)NCc1ccccc1
InChIKey: KFDIJUCBPNTPOW-UHFFFAOYSA-N
Molecular formula: C12H14N2O2
Average molar mass: 218.25 g/mol

Names & identifiers

Preferred name: N-[(benzylamino)carbonyl]-2-methylacrylamide
IUPAC: N-(benzylcarbamoyl)-2-methylprop-2-enamide

Names & synonyms

N-[(benzylamino)carbonyl]-2-methylacrylamideN-benzyl-N'-methacryloyl ureaSCHEMBL8903624KFDIJUCBPNTPOW-UHFFFAOYSA-N2-propenamide, 2-methyl-N-[[(phenylmethyl)amino]carbonyl]-InChI=1/C12H14N2O2/c1-9(2)11(15)14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H2,13,14,15,16

Database identifiers

PubChem CID: 639951
Nikkaji: J765.072H

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 281

Related reactions

2 records

New reaction record

HRID 160953As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1452125As productuspto-grants-1997_02

Compound notes

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