(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide

C15H15NO2 — CID 898807

IUPAC(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C15H15NO2/c1-2-12-5-3-6-13(11-12)16-15(17)9-8-14-7-4-10-18-14/h3-11H,2H2,1H3,(H,16,17)/b9-8+
InChIKeyJBUCZVSUAXOYPW-CMDGGOBGSA-N
MW241.29 g/mol
LogP3.49
Rot. Bonds4

About (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 898807) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID898807
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C15H15NO2/c1-2-12-5-3-6-13(11-12)16-15(17)9-8-14-7-4-10-18-14/h3-11H,2H2,1H3,(H,16,17)/b9-8+
InChIKeyJBUCZVSUAXOYPW-CMDGGOBGSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 898807) is (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is JBUCZVSUAXOYPW-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-12-5-3-6-13(11-12)16-15(17)9-8-14-7-4-10-18-14/h3-11H,2H2,1H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 898807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).