(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide

C26H27NO4 — CID 11811804

IUPAC(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-18-10-12-22(19(2)14-18)27-25(28)13-11-21-15-23(29-3)26(24(16-21)30-4)31-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,27,28)/b13-11+
InChIKeyWAZKRDSZKOHICM-ACCUITESSA-N
MW417.51 g/mol
LogP5.55
Rot. Bonds8

About (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide

(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 11811804) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID11811804
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-18-10-12-22(19(2)14-18)27-25(28)13-11-21-15-23(29-3)26(24(16-21)30-4)31-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,27,28)/b13-11+
InChIKeyWAZKRDSZKOHICM-ACCUITESSA-N
XLogP5.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.55
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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Related Compounds

3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2788733
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 5044357
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 8714301
methyl (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684947
3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 3521503
(E)-3-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)prop-2-enehydrazide
CID 91684963
(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55989935
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide (CID 11811804) is (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is WAZKRDSZKOHICM-ACCUITESSA-N. The full InChI is InChI=1S/C26H27NO4/c1-18-10-12-22(19(2)14-18)27-25(28)13-11-21-15-23(29-3)26(24(16-21)30-4)31-17-20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,27,28)/b13-11+.
What are the key properties of (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide?
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 417.51 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 11811804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).