(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C21H23NO2 — CID 8761389

IUPAC(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C21H23NO2/c1-4-15-24-19-12-9-17(10-13-19)11-14-20(23)22-21-16(3)7-6-8-18(21)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,23)/b14-11+
InChIKeyDBSLDNLJQLYFSG-SDNWHVSQSA-N
MW321.42 g/mol
LogP4.77
Rot. Bonds7

About (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 8761389) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID8761389
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C21H23NO2/c1-4-15-24-19-12-9-17(10-13-19)11-14-20(23)22-21-16(3)7-6-8-18(21)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,23)/b14-11+
InChIKeyDBSLDNLJQLYFSG-SDNWHVSQSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.77
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)-3-[4-(cyanomethoxy)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086673
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 8015224
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486250
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671
(E)-3-(3-amino-4-fluorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 39419234
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 8761389) is (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1.
What is the InChIKey of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is DBSLDNLJQLYFSG-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-15-24-19-12-9-17(10-13-19)11-14-20(23)22-21-16(3)7-6-8-18(21)5-2/h4,6-14H,1,5,15H2,2-3H3,(H,22,23)/b14-11+.
What are the key properties of (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 321.42 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8761389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).