(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H21NO3 — CID 17227150

IUPAC(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(OCC)c2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-17-11-8-15(9-12-17)10-13-19(21)20-16-6-5-7-18(14-16)23-4-2/h5-14H,3-4H2,1-2H3,(H,20,21)/b13-10+
InChIKeyUOMQMLHSHDQONR-JLHYYAGUSA-N
MW311.38 g/mol
LogP4.14
Rot. Bonds7

About (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 17227150) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID17227150
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(OCC)c2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-17-11-8-15(9-12-17)10-13-19(21)20-16-6-5-7-18(14-16)23-4-2/h5-14H,3-4H2,1-2H3,(H,20,21)/b13-10+
InChIKeyUOMQMLHSHDQONR-JLHYYAGUSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.14
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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Related Compounds

(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
(E)-3-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)carbamothioyl]prop-2-enamide
CID 17227534
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
(E)-3-(4-ethoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]prop-2-enamide
CID 17227329
3-(4-hydroxyphenyl)-N-(3-octadecoxyphenyl)prop-2-enamide
CID 54182223
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
ethyl (E)-4-(3-ethoxyanilino)-4-oxobut-2-enoate
CID 17098084

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 17227150) is (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cccc(OCC)c2)cc1.
What is the InChIKey of (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is UOMQMLHSHDQONR-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-17-11-8-15(9-12-17)10-13-19(21)20-16-6-5-7-18(14-16)23-4-2/h5-14H,3-4H2,1-2H3,(H,20,21)/b13-10+.
What are the key properties of (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17227150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).