(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide

C21H25NO3 — CID 732818

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO3/c1-4-24-19-13-11-17(15-20(19)25-5-2)12-14-21(23)22-16(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23)/b14-12+/t16-/m1/s1
InChIKeyZSWHYADXWSWTBL-WCRPCQDQSA-N
MW339.44 g/mol
LogP4.37
Rot. Bonds8

About (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide (PubChem CID 732818) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
PubChem CID732818
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO3/c1-4-24-19-13-11-17(15-20(19)25-5-2)12-14-21(23)22-16(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23)/b14-12+/t16-/m1/s1
InChIKeyZSWHYADXWSWTBL-WCRPCQDQSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]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-(3,4-diethoxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 732816
(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315161
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
3-(3-methoxy-4-pentoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4174981
3-(3-ethoxy-4-methoxyphenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 78775696
(E)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9092068
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315187
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide (CID 732818) is (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
The InChIKey is ZSWHYADXWSWTBL-WCRPCQDQSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-24-19-13-11-17(15-20(19)25-5-2)12-14-21(23)22-16(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23)/b14-12+/t16-/m1/s1.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 732818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).