(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide

C19H20FNO3 — CID 9022525

IUPAC(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO3/c1-2-23-17-7-9-18(10-8-17)24-13-12-21-19(22)11-6-15-4-3-5-16(20)14-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)/b11-6+
InChIKeyNINYXCVUGAQIFL-IZZDOVSWSA-N
MW329.37 g/mol
LogP3.43
Rot. Bonds8

About (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 9022525) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID9022525
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FNO3/c1-2-23-17-7-9-18(10-8-17)24-13-12-21-19(22)11-6-15-4-3-5-16(20)14-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)/b11-6+
InChIKeyNINYXCVUGAQIFL-IZZDOVSWSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 35094165
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 2478274
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-phenoxyethyl)prop-2-enamide
CID 33249438
4-[3-(3-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846324

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide (CID 9022525) is (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide is CCOc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is NINYXCVUGAQIFL-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-23-17-7-9-18(10-8-17)24-13-12-21-19(22)11-6-15-4-3-5-16(20)14-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)/b11-6+.
What are the key properties of (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 329.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9022525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).