4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide

C26H25NO3 — CID 158892469

IUPAC4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2cccc(-c3ccc(C(N)=O)cc3)c2C)cc1OC
InChIInChI=1S/C26H25NO3/c1-5-22-24(29-3)15-18(16-25(22)30-4)9-10-19-7-6-8-23(17(19)2)20-11-13-21(14-12-20)26(27)28/h5-16H,1H2,2-4H3,(H2,27,28)/b10-9+
InChIKeyFOIOGGJKDBEZEA-MDZDMXLPSA-N
MW399.49 g/mol
LogP5.59
Rot. Bonds7

About 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide

4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide (PubChem CID 158892469) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide
PubChem CID158892469
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide
SMILESC=Cc1c(OC)cc(/C=C/c2cccc(-c3ccc(C(N)=O)cc3)c2C)cc1OC
InChIInChI=1S/C26H25NO3/c1-5-22-24(29-3)15-18(16-25(22)30-4)9-10-19-7-6-8-23(17(19)2)20-11-13-21(14-12-20)26(27)28/h5-16H,1H2,2-4H3,(H2,27,28)/b10-9+
InChIKeyFOIOGGJKDBEZEA-MDZDMXLPSA-N
XLogP5.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,3-dimethoxy-5-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]benzene
CID 145435822
2-aminoethanol;2,6-dimethoxy-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]benzaldehyde;2-[[2,6-dimethoxy-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]ethanol
CID 160905765
2-[[2,6-dimethoxy-4-[2-[3-(4-methoxyphenyl)-2-methylphenyl]ethenyl]phenyl]methylamino]-3-hydroxypropanoic acid
CID 166671788
(2R)-3-[[2,6-dimethoxy-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]-2-methylpropanoic acid
CID 138632492
2-[[2,6-dimethoxy-4-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]-4-hydroxybutanoic acid
CID 139558242
2-[[2,6-dimethoxy-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]-6-hydroxybenzoic acid
CID 138606847
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]benzonitrile
CID 138632552
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
2-ethenyl-3-methoxybenzamide
CID 177056846
4-(2-ethylphenyl)benzamide
CID 69080578
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide?
The IUPAC name of 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide (CID 158892469) is 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide is C=Cc1c(OC)cc(/C=C/c2cccc(-c3ccc(C(N)=O)cc3)c2C)cc1OC.
What is the InChIKey of 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide?
The InChIKey is FOIOGGJKDBEZEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H25NO3/c1-5-22-24(29-3)15-18(16-25(22)30-4)9-10-19-7-6-8-23(17(19)2)20-11-13-21(14-12-20)26(27)28/h5-16H,1H2,2-4H3,(H2,27,28)/b10-9+.
What are the key properties of 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide?
4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 158892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).