4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C17H17N3O4 — CID 136749454

IUPAC4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C17H17N3O4/c1-11(21)19-14-8-6-12(7-9-14)17(23)20-18-10-13-4-3-5-15(24-2)16(13)22/h3-10,22H,1-2H3,(H,19,21)(H,20,23)/b18-10-
InChIKeyYMTGZUNSFBHZSU-ZDLGFXPLSA-N
MW327.34 g/mol
LogP2.12
Rot. Bonds5

About 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 136749454) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID136749454
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1O
InChIInChI=1S/C17H17N3O4/c1-11(21)19-14-8-6-12(7-9-14)17(23)20-18-10-13-4-3-5-15(24-2)16(13)22/h3-10,22H,1-2H3,(H,19,21)(H,20,23)/b18-10-
InChIKeyYMTGZUNSFBHZSU-ZDLGFXPLSA-N
XLogP2.12
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
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-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 1246601
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 136663553
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
2-chloro-N-[3-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136897253
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylpyridine-4-carboxamide
CID 146020487
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 136749454) is 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1O.
What is the InChIKey of 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is YMTGZUNSFBHZSU-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(21)19-14-8-6-12(7-9-14)17(23)20-18-10-13-4-3-5-15(24-2)16(13)22/h3-10,22H,1-2H3,(H,19,21)(H,20,23)/b18-10-.
What are the key properties of 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 327.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136749454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).