N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

C19H22N2O3 — CID 6142920

IUPACN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)C(OC)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-12-10-15(11-13-17)14(2)20-21-19(22)18(23-3)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,21,22)/b20-14+
InChIKeyJULIPSHVXUHMQO-XSFVSMFZSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds7

About N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 6142920) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID6142920
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)C(OC)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-12-10-15(11-13-17)14(2)20-21-19(22)18(23-3)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,21,22)/b20-14+
InChIKeyJULIPSHVXUHMQO-XSFVSMFZSA-N
XLogP3.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3(2H)-Pyridazinone, 4,5-dihydro-6-(4-propoxyphenyl)-
CID 217732
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one
CID 24994127
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
6-(4-butoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 12004848
3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57402849
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 59185911
6-(4-Methoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
CID 689109
6-[(E)-2-(4-ethoxyphenyl)ethenyl]-4,5-dihydro-3(2H)-pyridazinone
CID 1471677
3-Phenyl-propionic acid N'-[2-(4-tert-butyl-phenoxy)-acetyl]-hydrazide
CID 3127650
3-Phenyl-propionic acid N'-(2-phenoxy-acetyl)-hydrazide
CID 3139321

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide (CID 6142920) is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is CCOc1ccc(/C(C)=N/NC(=O)C(OC)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is JULIPSHVXUHMQO-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-17-12-10-15(11-13-17)14(2)20-21-19(22)18(23-3)16-8-6-5-7-9-16/h5-13,18H,4H2,1-3H3,(H,21,22)/b20-14+.
What are the key properties of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide?
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 6142920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).