2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride

C20H25ClN2O5 — CID 127025062

IUPAC2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CN)c1.Cl
InChIInChI=1S/C20H24N2O5.ClH/c1-24-15-8-7-14(16(11-15)22-19(23)12-21)6-5-13-9-17(25-2)20(27-4)18(10-13)26-3;/h5-11H,12,21H2,1-4H3,(H,22,23);1H/b6-5+;
InChIKeyJINNHNCJCPPBOH-IPZCTEOASA-N
MW408.88 g/mol
LogP3.21
Rot. Bonds8

About 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride

2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride (PubChem CID 127025062) has the molecular formula C20H25ClN2O5 and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride
PubChem CID127025062
Molecular FormulaC20H25ClN2O5
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Name2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CN)c1.Cl
InChIInChI=1S/C20H24N2O5.ClH/c1-24-15-8-7-14(16(11-15)22-19(23)12-21)6-5-13-9-17(25-2)20(27-4)18(10-13)26-3;/h5-11H,12,21H2,1-4H3,(H,22,23);1H/b6-5+;
InChIKeyJINNHNCJCPPBOH-IPZCTEOASA-N
XLogP3.21
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride (CID 127025062) is 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CN)c1.Cl.
What is the InChIKey of 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride?
The InChIKey is JINNHNCJCPPBOH-IPZCTEOASA-N. The full InChI is InChI=1S/C20H24N2O5.ClH/c1-24-15-8-7-14(16(11-15)22-19(23)12-21)6-5-13-9-17(25-2)20(27-4)18(10-13)26-3;/h5-11H,12,21H2,1-4H3,(H,22,23);1H/b6-5+;.
What are the key properties of 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride?
2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 127025062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).