(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide

C23H24N2O4 — CID 55511037

IUPAC(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide
SMILESCCOc1cccc2cc(C(C)NC(=O)/C=C/c3ccc(NC(C)=O)cc3)oc12
InChIInChI=1S/C23H24N2O4/c1-4-28-20-7-5-6-18-14-21(29-23(18)20)15(2)24-22(27)13-10-17-8-11-19(12-9-17)25-16(3)26/h5-15H,4H2,1-3H3,(H,24,27)(H,25,26)/b13-10+
InChIKeyJMAQDIFAYYOQAX-JLHYYAGUSA-N
MW392.46 g/mol
LogP4.68
Rot. Bonds7

About (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide (PubChem CID 55511037) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide
PubChem CID55511037
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide
SMILESCCOc1cccc2cc(C(C)NC(=O)/C=C/c3ccc(NC(C)=O)cc3)oc12
InChIInChI=1S/C23H24N2O4/c1-4-28-20-7-5-6-18-14-21(29-23(18)20)15(2)24-22(27)13-10-17-8-11-19(12-9-17)25-16(3)26/h5-15H,4H2,1-3H3,(H,24,27)(H,25,26)/b13-10+
InChIKeyJMAQDIFAYYOQAX-JLHYYAGUSA-N
XLogP4.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-methylpropan-2-ol
CID 175788612
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide (CID 55511037) is (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide is CCOc1cccc2cc(C(C)NC(=O)/C=C/c3ccc(NC(C)=O)cc3)oc12.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is JMAQDIFAYYOQAX-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-28-20-7-5-6-18-14-21(29-23(18)20)15(2)24-22(27)13-10-17-8-11-19(12-9-17)25-16(3)26/h5-15H,4H2,1-3H3,(H,24,27)(H,25,26)/b13-10+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 55511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).