(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C16H20N2O3 — CID 9480872

IUPAC(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-4-11-21-14-8-5-13(6-9-14)7-10-15(19)17-12-16(20)18(2)3/h4-10H,1,11-12H2,2-3H3,(H,17,19)/b10-7+
InChIKeyWZJRFUMOUZTPHP-JXMROGBWSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds7

About (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 9480872) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID9480872
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cc1
InChIInChI=1S/C16H20N2O3/c1-4-11-21-14-8-5-13(6-9-14)7-10-15(19)17-12-16(20)18(2)3/h4-10H,1,11-12H2,2-3H3,(H,17,19)/b10-7+
InChIKeyWZJRFUMOUZTPHP-JXMROGBWSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
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-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9301543
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8961604
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480698

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 9480872) is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)NCC(=O)N(C)C)cc1.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is WZJRFUMOUZTPHP-JXMROGBWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11-21-14-8-5-13(6-9-14)7-10-15(19)17-12-16(20)18(2)3/h4-10H,1,11-12H2,2-3H3,(H,17,19)/b10-7+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9480872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).