3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide

C23H22N2O4 — CID 4923315

IUPAC3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-12-18(14-22(21)28-2)23(26)25-24-15-19-10-6-7-11-20(19)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyQLNYLJBEECAJEW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.05
Rot. Bonds8

About 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide

3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 4923315) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID4923315
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-12-18(14-22(21)28-2)23(26)25-24-15-19-10-6-7-11-20(19)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26)
InChIKeyQLNYLJBEECAJEW-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

4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
4-[[2-[(E)-[(3-methoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126328863
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(E)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126315510
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
4-[[4-chloro-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126332446
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide (CID 4923315) is 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide is COc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is QLNYLJBEECAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-21-13-12-18(14-22(21)28-2)23(26)25-24-15-19-10-6-7-11-20(19)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide 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 3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4923315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).