2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

C15H14N2O4 — CID 137283404

IUPAC2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C15H14N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,9,18,20-21H,8H2,(H,17,19)/b16-9+
InChIKeyJCTOGMJBKBAGRI-CXUHLZMHSA-N
MW286.29 g/mol
LogP1.50
Rot. Bonds4

About 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (PubChem CID 137283404) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
PubChem CID137283404
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C15H14N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,9,18,20-21H,8H2,(H,17,19)/b16-9+
InChIKeyJCTOGMJBKBAGRI-CXUHLZMHSA-N
XLogP1.50
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (CID 137283404) is 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(O)c(O)c1O.
What is the InChIKey of 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is JCTOGMJBKBAGRI-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-7-6-11(14(20)15(12)21)9-16-17-13(19)8-10-4-2-1-3-5-10/h1-7,9,18,20-21H,8H2,(H,17,19)/b16-9+.
What are the key properties of 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 286.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).