N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide

C19H16N2O2 — CID 6735281

IUPACN-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NN=Cc1cc2ccccc2o1
InChIInChI=1S/C19H16N2O2/c1-14(11-15-7-3-2-4-8-15)19(22)21-20-13-17-12-16-9-5-6-10-18(16)23-17/h2-13H,1H3,(H,21,22)
InChIKeyRXVFFRRMYPVZCB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.99
Rot. Bonds4

About N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide

N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide (PubChem CID 6735281) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
PubChem CID6735281
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NN=Cc1cc2ccccc2o1
InChIInChI=1S/C19H16N2O2/c1-14(11-15-7-3-2-4-8-15)19(22)21-20-13-17-12-16-9-5-6-10-18(16)23-17/h2-13H,1H3,(H,21,22)
InChIKeyRXVFFRRMYPVZCB-UHFFFAOYSA-N
XLogP3.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
CID 20843932
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
CID 20838461
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
CID 45109132
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-1-benzofuran-2-ylmethylideneamino]prop-2-enamide
CID 45109234
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide;hydrate;hydrochloride
CID 134098075
N-[(Z)-3-[(2E)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5335415
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
CID 5453496
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide (CID 6735281) is N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide is CC(=Cc1ccccc1)C(=O)NN=Cc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is RXVFFRRMYPVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14(11-15-7-3-2-4-8-15)19(22)21-20-13-17-12-16-9-5-6-10-18(16)23-17/h2-13H,1H3,(H,21,22).
What are the key properties of N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide?
N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).