N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide

C20H20N2O4 — CID 70689382

IUPACN-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(NC(C)=O)c2)c1
InChIInChI=1S/C20H20N2O4/c1-13(23)22-19-11-14(5-6-20(19)26-4)18(7-8-21)15-9-16(24-2)12-17(10-15)25-3/h5-7,9-12H,1-4H3,(H,22,23)
InChIKeyYPKFRAHOUNLTKO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.63
Rot. Bonds6

About N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide

N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide (PubChem CID 70689382) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide
PubChem CID70689382
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(NC(C)=O)c2)c1
InChIInChI=1S/C20H20N2O4/c1-13(23)22-19-11-14(5-6-20(19)26-4)18(7-8-21)15-9-16(24-2)12-17(10-15)25-3/h5-7,9-12H,1-4H3,(H,22,23)
InChIKeyYPKFRAHOUNLTKO-UHFFFAOYSA-N
XLogP3.63
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide (CID 70689382) is N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide is COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(NC(C)=O)c2)c1.
What is the InChIKey of N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide?
The InChIKey is YPKFRAHOUNLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(23)22-19-11-14(5-6-20(19)26-4)18(7-8-21)15-9-16(24-2)12-17(10-15)25-3/h5-7,9-12H,1-4H3,(H,22,23).
What are the key properties of N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide?
N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 70689382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).