(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide

C25H23ClN2O5 — CID 55887226

IUPAC(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C25H23ClN2O5/c1-31-21-12-11-18(26)14-17(21)10-13-24(29)27-19-6-5-7-20(15-19)28-25(30)16-33-23-9-4-3-8-22(23)32-2/h3-15H,16H2,1-2H3,(H,27,29)(H,28,30)/b13-10+
InChIKeyGSPIVCIGUBZEJF-JLHYYAGUSA-N
MW466.92 g/mol
LogP5.03
Rot. Bonds9

About (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide

(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide (PubChem CID 55887226) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
PubChem CID55887226
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC Name(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C25H23ClN2O5/c1-31-21-12-11-18(26)14-17(21)10-13-24(29)27-19-6-5-7-20(15-19)28-25(30)16-33-23-9-4-3-8-22(23)32-2/h3-15H,16H2,1-2H3,(H,27,29)(H,28,30)/b13-10+
InChIKeyGSPIVCIGUBZEJF-JLHYYAGUSA-N
XLogP5.03
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 17171618
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide
CID 60536120
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(E)-3-(1,3-benzothiazol-2-yl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
CID 55888506
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
3-[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20985993
N-[(3-chlorophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 927027
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
(E)-3-(5-chloro-2-methoxyphenyl)-N-(4-methylsulfanylphenyl)prop-2-enamide
CID 52696409
dimethyl 2-[[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]propanedioate
CID 126056010

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide (CID 55887226) is (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide is COc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.
What is the InChIKey of (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide?
The InChIKey is GSPIVCIGUBZEJF-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-31-21-12-11-18(26)14-17(21)10-13-24(29)27-19-6-5-7-20(15-19)28-25(30)16-33-23-9-4-3-8-22(23)32-2/h3-15H,16H2,1-2H3,(H,27,29)(H,28,30)/b13-10+.
What are the key properties of (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide?
(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide has a molecular weight of 466.92 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 55887226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).