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

C15H20N2O3 — CID 9480960

IUPAC(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H20N2O3/c1-4-20-13-8-6-5-7-12(13)9-10-14(18)16-11-15(19)17(2)3/h5-10H,4,11H2,1-3H3,(H,16,18)/b10-9+
InChIKeyVBGGRGLOEWBFER-MDZDMXLPSA-N
MW276.34 g/mol
LogP1.30
Rot. Bonds6

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

(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 9480960) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID9480960
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCC(=O)N(C)C
InChIInChI=1S/C15H20N2O3/c1-4-20-13-8-6-5-7-12(13)9-10-14(18)16-11-15(19)17(2)3/h5-10H,4,11H2,1-3H3,(H,16,18)/b10-9+
InChIKeyVBGGRGLOEWBFER-MDZDMXLPSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 43008492
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide (CID 9480960) is (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCC(=O)N(C)C.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is VBGGRGLOEWBFER-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-20-13-8-6-5-7-12(13)9-10-14(18)16-11-15(19)17(2)3/h5-10H,4,11H2,1-3H3,(H,16,18)/b10-9+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 1.30, 6 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-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9480960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).