(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C20H21NO2 — CID 8714203

IUPAC(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H21NO2/c1-4-14-23-18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(2)16(19)3/h4-13H,1,14H2,2-3H3,(H,21,22)/b13-10+
InChIKeyIUUQICAFPJNXIG-JLHYYAGUSA-N
MW307.39 g/mol
LogP4.52
Rot. Bonds6

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

(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 8714203) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID8714203
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H21NO2/c1-4-14-23-18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(2)16(19)3/h4-13H,1,14H2,2-3H3,(H,21,22)/b13-10+
InChIKeyIUUQICAFPJNXIG-JLHYYAGUSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.52
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

N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26903859
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(Z)-N-[(2,3-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92949934
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486250
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8961604

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 8714203) is (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is IUUQICAFPJNXIG-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-14-23-18-11-8-17(9-12-18)10-13-20(22)21-19-7-5-6-15(2)16(19)3/h4-13H,1,14H2,2-3H3,(H,21,22)/b13-10+.
What are the key properties of (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8714203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).