4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide

C32H34N4O9 — CID 158711619

IUPAC4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cccc(O)c1.COc1cc(O)ccc1C=O.NNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H16N2O4.C8H10N2O2.C8H8O3/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11;9-10-8(12)5-6-2-1-3-7(11)4-6;1-11-8-4-7(10)3-2-6(8)5-9/h2-7,9-10,19-20H,8H2,1H3,(H,18,21);1-4,11H,5,9H2,(H,10,12);2-5,10H,1H3
InChIKeyIIUJXCUHVYZBTA-UHFFFAOYSA-N
MW618.64 g/mol
LogP2.94
Rot. Bonds9

About 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide

4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide (PubChem CID 158711619) has the molecular formula C32H34N4O9 and a molecular weight of 618.64 g/mol. Its IUPAC name is 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide
PubChem CID158711619
Molecular FormulaC32H34N4O9
Molecular Weight618.64 g/mol
Exact Mass618.23
IUPAC Name4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cccc(O)c1.COc1cc(O)ccc1C=O.NNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C16H16N2O4.C8H10N2O2.C8H8O3/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11;9-10-8(12)5-6-2-1-3-7(11)4-6;1-11-8-4-7(10)3-2-6(8)5-9/h2-7,9-10,19-20H,8H2,1H3,(H,18,21);1-4,11H,5,9H2,(H,10,12);2-5,10H,1H3
InChIKeyIIUJXCUHVYZBTA-UHFFFAOYSA-N
XLogP2.94
TPSA213.03 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.64
LogP ≤ 52.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816
2-(2-fluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
CID 136653358
N-[(E)-(2-fluoro-4-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135513103
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135519349
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide?
The IUPAC name of 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide (CID 158711619) is 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide.
What is the SMILES notation for 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide?
The canonical SMILES for 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide is COc1cc(O)ccc1C=NNC(=O)Cc1cccc(O)c1.COc1cc(O)ccc1C=O.NNC(=O)Cc1cccc(O)c1.
What is the InChIKey of 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide?
The InChIKey is IIUJXCUHVYZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4.C8H10N2O2.C8H8O3/c1-22-15-9-14(20)6-5-12(15)10-17-18-16(21)8-11-3-2-4-13(19)7-11;9-10-8(12)5-6-2-1-3-7(11)4-6;1-11-8-4-7(10)3-2-6(8)5-9/h2-7,9-10,19-20H,8H2,1H3,(H,18,21);1-4,11H,5,9H2,(H,10,12);2-5,10H,1H3.
What are the key properties of 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide?
4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide has a molecular weight of 618.64 g/mol, XLogP of 2.94, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide is sourced from PubChem (CID 158711619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).