N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide

C23H22N2O4 — CID 4932965

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-8-18(14-22(21)28-2)15-24-25-23(26)19-9-11-20(12-10-19)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyROACASZGCALYES-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.05
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932965) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932965
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-8-18(14-22(21)28-2)15-24-25-23(26)19-9-11-20(12-10-19)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyROACASZGCALYES-UHFFFAOYSA-N
XLogP4.05
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
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

3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 135551685
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide (CID 4932965) is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide is COc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is ROACASZGCALYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-21-13-8-18(14-22(21)28-2)15-24-25-23(26)19-9-11-20(12-10-19)29-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).