N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

C18H20N2O4 — CID 59185911

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(OC)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-22-15-10-9-13(11-16(15)23-2)12-19-20-18(21)17(24-3)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,20,21)/b19-12+
InChIKeyNXOQHEXTJMLVJC-XDHOZWIPSA-N
MW328.37 g/mol
LogP2.54
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 59185911) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID59185911
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(OC)c2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-22-15-10-9-13(11-16(15)23-2)12-19-20-18(21)17(24-3)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,20,21)/b19-12+
InChIKeyNXOQHEXTJMLVJC-XDHOZWIPSA-N
XLogP2.54
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.54
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'}

Analyze N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide 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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
N'-(1,3-benzodioxol-5-ylmethylene)-3-(4-methoxyphenyl)propanohydrazide
CID 6876987
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-[4-(propan-2-yloxy)phenyl]propanehydrazide
CID 6888950
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
N'-[(1E,2E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ylidene]-2-hydroxy-2-phenylacetohydrazide
CID 9677901
2-methoxy-N'-[(Z)-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237321
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylacetamide
CID 6864753
N'-(3,4-dimethoxybenzylidene)-2-phenylcyclopropanecarbohydrazide
CID 9661142
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 44633462

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (CID 59185911) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is COc1ccc(/C=N/NC(=O)C(OC)c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is NXOQHEXTJMLVJC-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-15-10-9-13(11-16(15)23-2)12-19-20-18(21)17(24-3)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 328.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 59185911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).