N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide

C21H25NO4 — CID 16758993

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide
SMILESCOc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H25NO4/c1-16(23)22(13-11-17-5-8-19(24-2)9-6-17)14-12-18-7-10-20(25-3)21(15-18)26-4/h5-11,13,15H,12,14H2,1-4H3/b13-11+
InChIKeyJFUHFKPBJBRVKC-ACCUITESSA-N
MW355.43 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide (PubChem CID 16758993) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide
PubChem CID16758993
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide
SMILESCOc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C21H25NO4/c1-16(23)22(13-11-17-5-8-19(24-2)9-6-17)14-12-18-7-10-20(25-3)21(15-18)26-4/h5-11,13,15H,12,14H2,1-4H3/b13-11+
InChIKeyJFUHFKPBJBRVKC-ACCUITESSA-N
XLogP3.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide (CID 16758993) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide is COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide?
The InChIKey is JFUHFKPBJBRVKC-ACCUITESSA-N. The full InChI is InChI=1S/C21H25NO4/c1-16(23)22(13-11-17-5-8-19(24-2)9-6-17)14-12-18-7-10-20(25-3)21(15-18)26-4/h5-11,13,15H,12,14H2,1-4H3/b13-11+.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 16758993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).