2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide

C22H28N2O4 — CID 72650250

IUPAC2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCON=C(C(=O)NCCc1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)28-19-11-8-17(14-20(19)26-4)12-13-23-22(25)21(24-27-5)18-9-6-16(3)7-10-18/h6-11,14-15H,12-13H2,1-5H3,(H,23,25)
InChIKeyZOVRHOBHMYXQFO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.50
Rot. Bonds9

About 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide

2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 72650250) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID72650250
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCON=C(C(=O)NCCc1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)28-19-11-8-17(14-20(19)26-4)12-13-23-22(25)21(24-27-5)18-9-6-16(3)7-10-18/h6-11,14-15H,12-13H2,1-5H3,(H,23,25)
InChIKeyZOVRHOBHMYXQFO-UHFFFAOYSA-N
XLogP3.50
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.50
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

2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
CID 73193276
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)phenyl]-2-methylsulfanyliminoacetamide
CID 18405788
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 15906537
(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 51143667
(2Z)-2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 134292015
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-thiophen-2-ylacetamide;ethane
CID 90757175
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide (CID 72650250) is 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide is CON=C(C(=O)NCCc1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1.
What is the InChIKey of 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ZOVRHOBHMYXQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)28-19-11-8-17(14-20(19)26-4)12-13-23-22(25)21(24-27-5)18-9-6-16(3)7-10-18/h6-11,14-15H,12-13H2,1-5H3,(H,23,25).
What are the key properties of 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide?
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 72650250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).