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

C23H22N2O4 — CID 6305371

IUPAC3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-10-19(14-22(21)28-2)23(26)25-24-15-17-8-11-20(12-9-17)29-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-
InChIKeyNMIAJTCCQNOWSM-IWIPYMOSSA-N
MW390.44 g/mol
LogP4.05
Rot. Bonds8

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

3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6305371) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6305371
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H22N2O4/c1-27-21-13-10-19(14-22(21)28-2)23(26)25-24-15-17-8-11-20(12-9-17)29-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-
InChIKeyNMIAJTCCQNOWSM-IWIPYMOSSA-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

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
3-methoxy-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327410
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126061831
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 92851172

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6305371) is 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is NMIAJTCCQNOWSM-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-21-13-10-19(14-22(21)28-2)23(26)25-24-15-17-8-11-20(12-9-17)29-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-(4-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-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6305371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).