(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide

C21H24FNO3 — CID 9050989

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C21H24FNO3/c1-14(2)21(15-5-8-17(22)9-6-15)23-20(24)12-7-16-13-18(25-3)10-11-19(16)26-4/h5-14,21H,1-4H3,(H,23,24)/b12-7+/t21-/m0/s1
InChIKeyWWYAYOZNSPLLTD-SQEWALACSA-N
MW357.43 g/mol
LogP4.37
Rot. Bonds7

About (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide (PubChem CID 9050989) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
PubChem CID9050989
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C21H24FNO3/c1-14(2)21(15-5-8-17(22)9-6-15)23-20(24)12-7-16-13-18(25-3)10-11-19(16)26-4/h5-14,21H,1-4H3,(H,23,24)/b12-7+/t21-/m0/s1
InChIKeyWWYAYOZNSPLLTD-SQEWALACSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
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-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]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

3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 8764873
N-[1-(4-fluorophenyl)-2-methylpropyl]but-2-enamide
CID 78911777
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
N-[4-[1-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591052
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-[(1R)-1-(1-adamantyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7929601
(E)-N-[(2-bromo-5-fluorophenyl)methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 98875452
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide (CID 9050989) is (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide?
The InChIKey is WWYAYOZNSPLLTD-SQEWALACSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-14(2)21(15-5-8-17(22)9-6-15)23-20(24)12-7-16-13-18(25-3)10-11-19(16)26-4/h5-14,21H,1-4H3,(H,23,24)/b12-7+/t21-/m0/s1.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide has a molecular weight of 357.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide is sourced from PubChem (CID 9050989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).