2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

C16H16N2O3 — CID 135734295

IUPAC2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(13-5-7-14(19)8-6-13)17-18-16(21)10-12-3-2-4-15(20)9-12/h2-9,19-20H,10H2,1H3,(H,18,21)/b17-11+
InChIKeyPCHUGKCSRBCXRH-GZTJUZNOSA-N
MW284.32 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135734295) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135734295
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(13-5-7-14(19)8-6-13)17-18-16(21)10-12-3-2-4-15(20)9-12/h2-9,19-20H,10H2,1H3,(H,18,21)/b17-11+
InChIKeyPCHUGKCSRBCXRH-GZTJUZNOSA-N
XLogP2.18
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (CID 135734295) is 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cc1cccc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is PCHUGKCSRBCXRH-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(13-5-7-14(19)8-6-13)17-18-16(21)10-12-3-2-4-15(20)9-12/h2-9,19-20H,10H2,1H3,(H,18,21)/b17-11+.
What are the key properties of 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135734295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).