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

C16H16N2O4 — CID 135412269

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-8-6-11(7-9-13)16(20)18-17-10-12-4-3-5-14(22-2)15(12)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyFVUJSHZQRAMTME-LICLKQGHSA-N
MW300.31 g/mol
LogP2.17
Rot. Bonds5

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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 135412269) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID135412269
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-8-6-11(7-9-13)16(20)18-17-10-12-4-3-5-14(22-2)15(12)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyFVUJSHZQRAMTME-LICLKQGHSA-N
XLogP2.17
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(4-(Benzyloxy)benzylidene)-4-hydroxybenzohydrazide
CID 6900270
N'-benzylidene-1,3-benzodioxole-5-carbohydrazide
CID 6872189
(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
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
N'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
4-Hydroxy-3-methoxybenzohydrazide
CID 468601
4-Methoxybenzoic benzylidenehydrazide
CID 9562118
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
3,4-dimethoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 5979198

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide (CID 135412269) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is FVUJSHZQRAMTME-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-13-8-6-11(7-9-13)16(20)18-17-10-12-4-3-5-14(22-2)15(12)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 300.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135412269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).