N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide

C16H16N2O4 — CID 135489099

IUPACN-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H16N2O4/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+
InChIKeyGWCMWZLSDFLMMS-LICLKQGHSA-N
MW300.31 g/mol
LogP1.80
Rot. Bonds5

About N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide

N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (PubChem CID 135489099) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
PubChem CID135489099
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H16N2O4/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+
InChIKeyGWCMWZLSDFLMMS-LICLKQGHSA-N
XLogP1.80
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137283404
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077
5-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137304401
3-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137316490
N'-[4-methoxy-3-(methoxymethyl)benzylidene]-2-(4-methoxyphenyl)acetohydrazide
CID 5412031
3-(3,4-dihydroxyphenyl)-N'-(2,5-dimethoxybenzylidene)propanohydrazide
CID 9563544
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425
2,4-dihydroxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25252441
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (CID 135489099) is N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is COc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is GWCMWZLSDFLMMS-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 135489099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).