3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide

C19H19NO2 — CID 4952517

IUPAC3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-3-14-22-18-11-9-17(10-12-18)20-19(21)13-8-16-6-4-15(2)5-7-16/h3-13H,1,14H2,2H3,(H,20,21)
InChIKeyBJOZLKLVAUCKMP-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds6

About 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide

3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 4952517) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID4952517
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO2/c1-3-14-22-18-11-9-17(10-12-18)20-19(21)13-8-16-6-4-15(2)5-7-16/h3-13H,1,14H2,2H3,(H,20,21)
InChIKeyBJOZLKLVAUCKMP-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486084
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 6235261

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 4952517) is 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is BJOZLKLVAUCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-14-22-18-11-9-17(10-12-18)20-19(21)13-8-16-6-4-15(2)5-7-16/h3-13H,1,14H2,2H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide?
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4952517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).