4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide

C22H20N2O3 — CID 584913

IUPAC4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-26-20-13-9-19(10-14-20)22(25)24-23-15-17-7-11-21(12-8-17)27-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyJLLQDUMBBKQCNK-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.04
Rot. Bonds7

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

4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 584913) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID584913
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-26-20-13-9-19(10-14-20)22(25)24-23-15-17-7-11-21(12-8-17)27-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyJLLQDUMBBKQCNK-UHFFFAOYSA-N
XLogP4.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
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-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 584913) is 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is JLLQDUMBBKQCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-20-13-9-19(10-14-20)22(25)24-23-15-17-7-11-21(12-8-17)27-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide?
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 584913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).