2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C18H20N2O4 — CID 6894112

IUPAC2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-22-15-9-14(10-16(23-2)18(15)24-3)12-19-20-17(21)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyJRDXNRXLXOQSPI-XDHOZWIPSA-N
MW328.37 g/mol
LogP2.41
Rot. Bonds7

About 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6894112) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID6894112
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-22-15-9-14(10-16(23-2)18(15)24-3)12-19-20-17(21)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyJRDXNRXLXOQSPI-XDHOZWIPSA-N
XLogP2.41
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 ≤ 52.41
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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
N'-(1,3-benzodioxol-5-ylmethylene)-3-(4-methoxyphenyl)propanohydrazide
CID 6876987
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
N'-(3-cyclohexen-1-ylmethylene)-3,4,5-trimethoxybenzohydrazide
CID 9608488
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
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxyacetamide
CID 44633605
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyacetamide
CID 59185906
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 59185911

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 6894112) is 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is JRDXNRXLXOQSPI-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-15-9-14(10-16(23-2)18(15)24-3)12-19-20-17(21)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,21)/b19-12+.
What are the key properties of 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6894112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).