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

C23H21N3O3 — CID 6134944

IUPAC4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-17(27)25-21-12-10-20(11-13-21)23(28)26-24-15-19-8-5-9-22(14-19)29-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15-
InChIKeyLLGFMYZHAHJKHV-IWIPYMOSSA-N
MW387.44 g/mol
LogP3.99
Rot. Bonds7

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

4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6134944) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6134944
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H21N3O3/c1-17(27)25-21-12-10-20(11-13-21)23(28)26-24-15-19-8-5-9-22(14-19)29-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15-
InChIKeyLLGFMYZHAHJKHV-IWIPYMOSSA-N
XLogP3.99
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4509998
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 133240898
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4644510
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6134944) is 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is LLGFMYZHAHJKHV-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-17(27)25-21-12-10-20(11-13-21)23(28)26-24-15-19-8-5-9-22(14-19)29-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15-.
What are the key properties of 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6134944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).