4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide

C26H28N2O3 — CID 67287928

IUPAC4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
SMILESCOc1c(C=Cc2ccc(C(N)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C26H28N2O3/c1-16-6-13-21(25(30)28-16)20-14-19(23(31-5)22(15-20)26(2,3)4)12-9-17-7-10-18(11-8-17)24(27)29/h6-15H,1-5H3,(H2,27,29)(H,28,30)
InChIKeyMOPNRTBXJXNSNT-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.93
Rot. Bonds5

About 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide

4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide (PubChem CID 67287928) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound Name4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
PubChem CID67287928
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
SMILESCOc1c(C=Cc2ccc(C(N)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C26H28N2O3/c1-16-6-13-21(25(30)28-16)20-14-19(23(31-5)22(15-20)26(2,3)4)12-9-17-7-10-18(11-8-17)24(27)29/h6-15H,1-5H3,(H2,27,29)(H,28,30)
InChIKeyMOPNRTBXJXNSNT-UHFFFAOYSA-N
XLogP4.93
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.93
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-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide
CID 67287306
methyl 2-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoate
CID 67287662
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 46841292
methyl 2-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-methoxy-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoate
CID 67287587
3-[3-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
CID 67286786
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67070065
N-[4-[2-[3-tert-butyl-2-methoxy-5-(6-methoxy-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-(hydroxymethyl)phenyl]methanesulfonamide
CID 67286510
4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]benzamide
CID 68758208
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]ethanesulfonamide
CID 67070180
1-tert-butyl-5-iodo-2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 59372480
3-[3-[(E)-2-(6-aminopyridazin-3-yl)ethenyl]-5-tert-butyl-4-methoxyphenyl]-5-fluoro-1H-pyridin-2-one
CID 67070382
5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one
CID 141266838

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The IUPAC name of 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide (CID 67287928) is 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide.
What is the SMILES notation for 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The canonical SMILES for 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide is COc1c(C=Cc2ccc(C(N)=O)cc2)cc(-c2ccc(C)[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
The InChIKey is MOPNRTBXJXNSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-16-6-13-21(25(30)28-16)20-14-19(23(31-5)22(15-20)26(2,3)4)12-9-17-7-10-18(11-8-17)24(27)29/h6-15H,1-5H3,(H2,27,29)(H,28,30).
What are the key properties of 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide?
4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 67287928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).