(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H21NO2 — CID 805674

IUPAC(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO2/c1-4-22-18-8-5-16(6-9-18)7-10-19(21)20-17-12-14(2)11-15(3)13-17/h5-13H,4H2,1-3H3,(H,20,21)/b10-7+
InChIKeyXRPCTCJQYVXUDJ-JXMROGBWSA-N
MW295.38 g/mol
LogP4.35
Rot. Bonds5

About (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 805674) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID805674
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO2/c1-4-22-18-8-5-16(6-9-18)7-10-19(21)20-17-12-14(2)11-15(3)13-17/h5-13H,4H2,1-3H3,(H,20,21)/b10-7+
InChIKeyXRPCTCJQYVXUDJ-JXMROGBWSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501087
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-3-(4-ethoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]prop-2-enamide
CID 17227329
(E)-3-(4-ethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141198
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
CID 17234449

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 805674) is (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is XRPCTCJQYVXUDJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-22-18-8-5-16(6-9-18)7-10-19(21)20-17-12-14(2)11-15(3)13-17/h5-13H,4H2,1-3H3,(H,20,21)/b10-7+.
What are the key properties of (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 805674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).