(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide

C20H23NO4 — CID 51144624

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NC(C)c2ccccc2OC)c1
InChIInChI=1S/C20H23NO4/c1-14(17-7-5-6-8-19(17)25-4)21-20(22)12-9-15-13-16(23-2)10-11-18(15)24-3/h5-14H,1-4H3,(H,21,22)/b12-9+
InChIKeyGWICAQDKXURLEL-FMIVXFBMSA-N
MW341.41 g/mol
LogP3.60
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 51144624) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID51144624
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)NC(C)c2ccccc2OC)c1
InChIInChI=1S/C20H23NO4/c1-14(17-7-5-6-8-19(17)25-4)21-20(22)12-9-15-13-16(23-2)10-11-18(15)24-3/h5-14H,1-4H3,(H,21,22)/b12-9+
InChIKeyGWICAQDKXURLEL-FMIVXFBMSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 9050989
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9476999
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide (CID 51144624) is (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)NC(C)c2ccccc2OC)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is GWICAQDKXURLEL-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(17-7-5-6-8-19(17)25-4)21-20(22)12-9-15-13-16(23-2)10-11-18(15)24-3/h5-14H,1-4H3,(H,21,22)/b12-9+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 51144624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).