N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide

C16H16N2O3 — CID 135479709

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1O
InChIInChI=1S/C16H16N2O3/c1-11-5-3-6-12(9-11)16(20)18-17-10-13-7-4-8-14(21-2)15(13)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyPLBWFBQDQGJMBT-LICLKQGHSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide (PubChem CID 135479709) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide
PubChem CID135479709
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1O
InChIInChI=1S/C16H16N2O3/c1-11-5-3-6-12(9-11)16(20)18-17-10-13-7-4-8-14(21-2)15(13)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyPLBWFBQDQGJMBT-LICLKQGHSA-N
XLogP2.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
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

Benzoic (2-methoxybenzylidene)hydrazide
CID 9554484
(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135576617
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
3-hydroxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 6911430
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]naphthalene-1-carbohydrazide
CID 135489946
N'-[(1E)-(2-hydroxyphenyl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 135628803
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide (CID 135479709) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide is COc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide?
The InChIKey is PLBWFBQDQGJMBT-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-3-6-12(9-11)16(20)18-17-10-13-7-4-8-14(21-2)15(13)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 135479709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).