(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide

C19H17NO2 — CID 51370904

IUPAC(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
SMILESCc1ccc2cc(/C=C/C(=O)NCc3ccccc3)oc2c1
InChIInChI=1S/C19H17NO2/c1-14-7-8-16-12-17(22-18(16)11-14)9-10-19(21)20-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)/b10-9+
InChIKeyYHNFOCKLPXFFEW-MDZDMXLPSA-N
MW291.35 g/mol
LogP4.07
Rot. Bonds4

About (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide

(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide (PubChem CID 51370904) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
PubChem CID51370904
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
SMILESCc1ccc2cc(/C=C/C(=O)NCc3ccccc3)oc2c1
InChIInChI=1S/C19H17NO2/c1-14-7-8-16-12-17(22-18(16)11-14)9-10-19(21)20-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)/b10-9+
InChIKeyYHNFOCKLPXFFEW-MDZDMXLPSA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 78890942
(E)-N-benzyl-4-(2,5-dimethylphenyl)-4-oxobut-2-enamide
CID 71654022
(E)-N-cyclohexyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370901
3-(1-benzofuran-2-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 74633280
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-3-(1-benzofuran-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]prop-2-enamide
CID 33319012
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(E)-3-(1-benzofuran-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-enamide
CID 78861524
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide (CID 51370904) is (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide is Cc1ccc2cc(/C=C/C(=O)NCc3ccccc3)oc2c1.
What is the InChIKey of (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide?
The InChIKey is YHNFOCKLPXFFEW-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-7-8-16-12-17(22-18(16)11-14)9-10-19(21)20-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,21)/b10-9+.
What are the key properties of (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide?
(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 51370904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).