4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide

C25H26N2O3 — CID 67287306

IUPAC4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
SMILESCOc1c(/C=C/c2ccc(C(N)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C25H26N2O3/c1-25(2,3)21-15-19(20-6-5-13-27-24(20)29)14-18(22(21)30-4)12-9-16-7-10-17(11-8-16)23(26)28/h5-15H,1-4H3,(H2,26,28)(H,27,29)/b12-9+
InChIKeyKNXSGQCLZLYFMO-FMIVXFBMSA-N
MW402.49 g/mol
LogP4.62
Rot. Bonds5

About 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide

4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide (PubChem CID 67287306) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound Name4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
PubChem CID67287306
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
SMILESCOc1c(/C=C/c2ccc(C(N)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C25H26N2O3/c1-25(2,3)21-15-19(20-6-5-13-27-24(20)29)14-18(22(21)30-4)12-9-16-7-10-17(11-8-16)23(26)28/h5-15H,1-4H3,(H2,26,28)(H,27,29)/b12-9+
InChIKeyKNXSGQCLZLYFMO-FMIVXFBMSA-N
XLogP4.62
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The IUPAC name of 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide (CID 67287306) is 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide.
What is the SMILES notation for 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The canonical SMILES for 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide is COc1c(/C=C/c2ccc(C(N)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The InChIKey is KNXSGQCLZLYFMO-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(2,3)21-15-19(20-6-5-13-27-24(20)29)14-18(22(21)30-4)12-9-16-7-10-17(11-8-16)23(26)28/h5-15H,1-4H3,(H2,26,28)(H,27,29)/b12-9+.
What are the key properties of 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 67287306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).