(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide

C17H17NO3 — CID 7464118

IUPAC(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H17NO3/c1-3-15-8-9-16(21-15)10-11-17(20)18-14-6-4-13(5-7-14)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)/b11-10+
InChIKeySPTWXRJNCFIDRQ-ZHACJKMWSA-N
MW283.33 g/mol
LogP3.70
Rot. Bonds5

About (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide

(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide (PubChem CID 7464118) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
PubChem CID7464118
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H17NO3/c1-3-15-8-9-16(21-15)10-11-17(20)18-14-6-4-13(5-7-14)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)/b11-10+
InChIKeySPTWXRJNCFIDRQ-ZHACJKMWSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide (CID 7464118) is (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)o1.
What is the InChIKey of (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The InChIKey is SPTWXRJNCFIDRQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-15-8-9-16(21-15)10-11-17(20)18-14-6-4-13(5-7-14)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)/b11-10+.
What are the key properties of (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 7464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).