3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

C24H23N3O4 — CID 6148632

IUPAC3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23N3O4/c1-17(28)26-21-10-6-9-20(14-21)24(29)27-25-15-19-11-12-22(23(13-19)30-2)31-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyWKQDDGGKTALEDK-MYYYXRDXSA-N
MW417.47 g/mol
LogP4.00
Rot. Bonds8

About 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6148632) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6148632
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H23N3O4/c1-17(28)26-21-10-6-9-20(14-21)24(29)27-25-15-19-11-12-22(23(13-19)30-2)31-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyWKQDDGGKTALEDK-MYYYXRDXSA-N
XLogP4.00
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 94847745
3-acetamido-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6039924
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126328674
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6034793
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4644510
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126316989

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6148632) is 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is WKQDDGGKTALEDK-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-17(28)26-21-10-6-9-20(14-21)24(29)27-25-15-19-11-12-22(23(13-19)30-2)31-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-.
What are the key properties of 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6148632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).