N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C23H22N2O4 — CID 19657806

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-27-19-13-12-18(22(14-19)28-2)15-24-25-23(26)20-10-6-7-11-21(20)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26)/b24-15+
InChIKeyXLXJSSLGTLNVHC-BUVRLJJBSA-N
MW390.44 g/mol
LogP4.05
Rot. Bonds8

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657806) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657806
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-27-19-13-12-18(22(14-19)28-2)15-24-25-23(26)20-10-6-7-11-21(20)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26)/b24-15+
InChIKeyXLXJSSLGTLNVHC-BUVRLJJBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 19657806) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is XLXJSSLGTLNVHC-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-19-13-12-18(22(14-19)28-2)15-24-25-23(26)20-10-6-7-11-21(20)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,26)/b24-15+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).