4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide

C25H25N3O4 — CID 43041490

IUPAC4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CO/N=C(\C)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17(20-8-10-22(11-9-20)26-18(2)29)28-32-16-19-4-6-21(7-5-19)25(30)27-23-12-14-24(31-3)15-13-23/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30)/b28-17+
InChIKeyZGVDRTRNMFQGMM-OGLMXYFKSA-N
MW431.49 g/mol
LogP4.85
Rot. Bonds8

About 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide

4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 43041490) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
PubChem CID43041490
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CO/N=C(\C)c3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17(20-8-10-22(11-9-20)26-18(2)29)28-32-16-19-4-6-21(7-5-19)25(30)27-23-12-14-24(31-3)15-13-23/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30)/b28-17+
InChIKeyZGVDRTRNMFQGMM-OGLMXYFKSA-N
XLogP4.85
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
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'}

Analyze 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(4-methoxyphenyl)propanamide
CID 24609709
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide (CID 43041490) is 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(CO/N=C(\C)c3ccc(NC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is ZGVDRTRNMFQGMM-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17(20-8-10-22(11-9-20)26-18(2)29)28-32-16-19-4-6-21(7-5-19)25(30)27-23-12-14-24(31-3)15-13-23/h4-15H,16H2,1-3H3,(H,26,29)(H,27,30)/b28-17+.
What are the key properties of 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide?
4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 431.49 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 43041490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).