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

C16H16N2O3 — CID 135502640

IUPACN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2cccc(O)c2)c1O
InChIInChI=1S/C16H16N2O3/c1-11-4-2-6-13(16(11)21)10-17-18-15(20)9-12-5-3-7-14(19)8-12/h2-8,10,19,21H,9H2,1H3,(H,18,20)/b17-10+
InChIKeyVUBRSOGJTSHTLH-LICLKQGHSA-N
MW284.31 g/mol
LogP2.10
Rot. Bonds4

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

N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (PubChem CID 135502640) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
PubChem CID135502640
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2cccc(O)c2)c1O
InChIInChI=1S/C16H16N2O3/c1-11-4-2-6-13(16(11)21)10-17-18-15(20)9-12-5-3-7-14(19)8-12/h2-8,10,19,21H,9H2,1H3,(H,18,20)/b17-10+
InChIKeyVUBRSOGJTSHTLH-LICLKQGHSA-N
XLogP2.10
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[(E)-(2-fluoro-4-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135513103
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135519349
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
ethane;2-(3-hydroxyphenyl)acetaldehyde;N-[(E)-(2-methylphenyl)methylideneamino]methanamine
CID 143158589
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (CID 135502640) is N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is Cc1cccc(/C=N/NC(=O)Cc2cccc(O)c2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is VUBRSOGJTSHTLH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-2-6-13(16(11)21)10-17-18-15(20)9-12-5-3-7-14(19)8-12/h2-8,10,19,21H,9H2,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 284.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 135502640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).