(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

C24H30N2O4 — CID 25163453

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(OCC)c(OC)c1
InChIInChI=1S/C24H30N2O4/c1-5-15-26(17-23(27)25-20-10-8-7-9-18(20)3)24(28)14-12-19-11-13-21(30-6-2)22(16-19)29-4/h7-14,16H,5-6,15,17H2,1-4H3,(H,25,27)/b14-12+
InChIKeyFKMVPOHFQVIPGU-WYMLVPIESA-N
MW410.51 g/mol
LogP4.29
Rot. Bonds10

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide (PubChem CID 25163453) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
PubChem CID25163453
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(OCC)c(OC)c1
InChIInChI=1S/C24H30N2O4/c1-5-15-26(17-23(27)25-20-10-8-7-9-18(20)3)24(28)14-12-19-11-13-21(30-6-2)22(16-19)29-4/h7-14,16H,5-6,15,17H2,1-4H3,(H,25,27)/b14-12+
InChIKeyFKMVPOHFQVIPGU-WYMLVPIESA-N
XLogP4.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide (CID 25163453) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1ccc(OCC)c(OC)c1.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The InChIKey is FKMVPOHFQVIPGU-WYMLVPIESA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-15-26(17-23(27)25-20-10-8-7-9-18(20)3)24(28)14-12-19-11-13-21(30-6-2)22(16-19)29-4/h7-14,16H,5-6,15,17H2,1-4H3,(H,25,27)/b14-12+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide has a molecular weight of 410.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 25163453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).