4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline

C26H25NO — CID 145343110

IUPAC4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
SMILESC=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+
InChIKeyNWRRBCGOQUPHEU-OUKQBFOZSA-N
MW367.49 g/mol
LogP6.81
Rot. Bonds8

About 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline

4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline (PubChem CID 145343110) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
PubChem CID145343110
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
SMILESC=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+
InChIKeyNWRRBCGOQUPHEU-OUKQBFOZSA-N
XLogP6.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106866
(Z)-3-(3-bromo-4-prop-2-enoxyphenyl)-2-phenylprop-2-enenitrile
CID 2263672
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
4-[(E)-2-(3-ethoxy-4-methylphenyl)ethenyl]-N-(thiophen-2-ylmethoxy)aniline
CID 145343127
2-benzamido-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768649
3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097969
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The IUPAC name of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline (CID 145343110) is 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline.
What is the SMILES notation for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The canonical SMILES for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline is C=CCOc1cc(/C=C/c2ccc(NC(=C)c3ccccc3)cc2)ccc1C.
What is the InChIKey of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
The InChIKey is NWRRBCGOQUPHEU-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H25NO/c1-4-18-28-26-19-23(11-10-20(26)2)13-12-22-14-16-25(17-15-22)27-21(3)24-8-6-5-7-9-24/h4-17,19,27H,1,3,18H2,2H3/b13-12+.
What are the key properties of 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline?
4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline has a molecular weight of 367.49 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline is sourced from PubChem (CID 145343110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).