4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide

C24H24N2O5 — CID 28776247

IUPAC4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(OCc2cc(/C=N\NC(=O)c3ccc(OC)cc3)ccc2OC)cc1
InChIInChI=1S/C24H24N2O5/c1-28-20-7-5-18(6-8-20)24(27)26-25-15-17-4-13-23(30-3)19(14-17)16-31-22-11-9-21(29-2)10-12-22/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-
InChIKeyYEKDVGJFDSPANN-MYYYXRDXSA-N
MW420.47 g/mol
LogP4.06
Rot. Bonds9

About 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide

4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide (PubChem CID 28776247) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
PubChem CID28776247
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
SMILESCOc1ccc(OCc2cc(/C=N\NC(=O)c3ccc(OC)cc3)ccc2OC)cc1
InChIInChI=1S/C24H24N2O5/c1-28-20-7-5-18(6-8-20)24(27)26-25-15-17-4-13-23(30-3)19(14-17)16-31-22-11-9-21(29-2)10-12-22/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-
InChIKeyYEKDVGJFDSPANN-MYYYXRDXSA-N
XLogP4.06
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
4-methoxy-N-[(E)-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylideneamino]benzamide
CID 25237190
N-[(Z)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,4,5-triethoxybenzamide
CID 6088368
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 4040779
N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6167663
N-[(E)-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6873437
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(Z)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]benzamide
CID 6163853
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide (CID 28776247) is 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide is COc1ccc(OCc2cc(/C=N\NC(=O)c3ccc(OC)cc3)ccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide?
The InChIKey is YEKDVGJFDSPANN-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-28-20-7-5-18(6-8-20)24(27)26-25-15-17-4-13-23(30-3)19(14-17)16-31-22-11-9-21(29-2)10-12-22/h4-15H,16H2,1-3H3,(H,26,27)/b25-15-.
What are the key properties of 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide?
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 28776247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).