(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide

C19H19NO3 — CID 6235261

IUPAC(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H19NO3/c1-3-14-23-17-11-9-16(10-12-17)20-19(21)13-8-15-6-4-5-7-18(15)22-2/h3-13H,1,14H2,2H3,(H,20,21)/b13-8+
InChIKeyOJRYHYKDNGEWJA-MDWZMJQESA-N
MW309.37 g/mol
LogP3.91
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 6235261) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID6235261
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C19H19NO3/c1-3-14-23-17-11-9-16(10-12-17)20-19(21)13-8-15-6-4-5-7-18(15)22-2/h3-13H,1,14H2,2H3,(H,20,21)/b13-8+
InChIKeyOJRYHYKDNGEWJA-MDWZMJQESA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-3-(2-methoxyphenyl)-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6232565
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068
ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
N-(4-ethoxyphenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 3657148
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 6235261) is (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is OJRYHYKDNGEWJA-MDWZMJQESA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-14-23-17-11-9-16(10-12-17)20-19(21)13-8-15-6-4-5-7-18(15)22-2/h3-13H,1,14H2,2H3,(H,20,21)/b13-8+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6235261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).