3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide

C20H23NO2 — CID 57396528

IUPAC3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)17-10-6-14(7-11-17)5-8-15-13-16(19(21)22)9-12-18(15)23-4/h5-13H,1-4H3,(H2,21,22)/b8-5+
InChIKeyBHAPETVDLKNVOH-VMPITWQZSA-N
MW309.41 g/mol
LogP4.26
Rot. Bonds4

About 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide

3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide (PubChem CID 57396528) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide
PubChem CID57396528
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)17-10-6-14(7-11-17)5-8-15-13-16(19(21)22)9-12-18(15)23-4/h5-13H,1-4H3,(H2,21,22)/b8-5+
InChIKeyBHAPETVDLKNVOH-VMPITWQZSA-N
XLogP4.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide (CID 57396528) is 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide?
The InChIKey is BHAPETVDLKNVOH-VMPITWQZSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)17-10-6-14(7-11-17)5-8-15-13-16(19(21)22)9-12-18(15)23-4/h5-13H,1-4H3,(H2,21,22)/b8-5+.
What are the key properties of 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide?
3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-methoxybenzamide is sourced from PubChem (CID 57396528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).