2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide

C30H32N2O5 — CID 175525308

IUPAC2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide
SMILESCOc1cc(/C=C/c2ccc(OCCN3CCCCC3=O)cc2)c(C(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C30H32N2O5/c1-35-26-20-23(29(27(21-26)36-2)30(34)31-24-8-4-3-5-9-24)14-11-22-12-15-25(16-13-22)37-19-18-32-17-7-6-10-28(32)33/h3-5,8-9,11-16,20-21H,6-7,10,17-19H2,1-2H3,(H,31,34)/b14-11+
InChIKeyZLXLRUCTKDSZHZ-SDNWHVSQSA-N
MW500.60 g/mol
LogP5.52
Rot. Bonds10

About 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide

2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide (PubChem CID 175525308) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide
PubChem CID175525308
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide
SMILESCOc1cc(/C=C/c2ccc(OCCN3CCCCC3=O)cc2)c(C(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C30H32N2O5/c1-35-26-20-23(29(27(21-26)36-2)30(34)31-24-8-4-3-5-9-24)14-11-22-12-15-25(16-13-22)37-19-18-32-17-7-6-10-28(32)33/h3-5,8-9,11-16,20-21H,6-7,10,17-19H2,1-2H3,(H,31,34)/b14-11+
InChIKeyZLXLRUCTKDSZHZ-SDNWHVSQSA-N
XLogP5.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
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1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
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1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
CID 70755856

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide?
The IUPAC name of 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide (CID 175525308) is 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide?
The canonical SMILES for 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide is COc1cc(/C=C/c2ccc(OCCN3CCCCC3=O)cc2)c(C(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide?
The InChIKey is ZLXLRUCTKDSZHZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-35-26-20-23(29(27(21-26)36-2)30(34)31-24-8-4-3-5-9-24)14-11-22-12-15-25(16-13-22)37-19-18-32-17-7-6-10-28(32)33/h3-5,8-9,11-16,20-21H,6-7,10,17-19H2,1-2H3,(H,31,34)/b14-11+.
What are the key properties of 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide?
2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide has a molecular weight of 500.60 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[(E)-2-[4-[2-(2-oxopiperidin-1-yl)ethoxy]phenyl]ethenyl]-N-phenylbenzamide is sourced from PubChem (CID 175525308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).