4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide

C27H30N2O2 — CID 58173024

IUPAC4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(/C=C/c2cccc(Nc3ccc(C(=O)NCCC(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-20(2)17-18-28-27(30)23-11-13-24(14-12-23)29-25-6-4-5-22(19-25)8-7-21-9-15-26(31-3)16-10-21/h4-16,19-20,29H,17-18H2,1-3H3,(H,28,30)/b8-7+
InChIKeyQWURWCIUZSDOHI-BQYQJAHWSA-N
MW414.55 g/mol
LogP6.39
Rot. Bonds9

About 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide

4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide (PubChem CID 58173024) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide
PubChem CID58173024
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(/C=C/c2cccc(Nc3ccc(C(=O)NCCC(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-20(2)17-18-28-27(30)23-11-13-24(14-12-23)29-25-6-4-5-22(19-25)8-7-21-9-15-26(31-3)16-10-21/h4-16,19-20,29H,17-18H2,1-3H3,(H,28,30)/b8-7+
InChIKeyQWURWCIUZSDOHI-BQYQJAHWSA-N
XLogP6.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
CID 58173078
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
4-methoxy-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110977357
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
CID 47101423
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide (CID 58173024) is 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide is COc1ccc(/C=C/c2cccc(Nc3ccc(C(=O)NCCC(C)C)cc3)c2)cc1.
What is the InChIKey of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide?
The InChIKey is QWURWCIUZSDOHI-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20(2)17-18-28-27(30)23-11-13-24(14-12-23)29-25-6-4-5-22(19-25)8-7-21-9-15-26(31-3)16-10-21/h4-16,19-20,29H,17-18H2,1-3H3,(H,28,30)/b8-7+.
What are the key properties of 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide?
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 6.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 58173024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).