(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide

C20H24N2O3 — CID 18983978

IUPAC(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide
SMILESCCNC(=O)/C(=N/OC)c1ccccc1COc1c(C)cccc1C
InChIInChI=1S/C20H24N2O3/c1-5-21-20(23)18(22-24-4)17-12-7-6-11-16(17)13-25-19-14(2)9-8-10-15(19)3/h6-12H,5,13H2,1-4H3,(H,21,23)/b22-18+
InChIKeyZNTKTSKQODSCIT-RELWKKBWSA-N
MW340.42 g/mol
LogP3.37
Rot. Bonds7

About (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide

(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide (PubChem CID 18983978) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide
PubChem CID18983978
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide
SMILESCCNC(=O)/C(=N/OC)c1ccccc1COc1c(C)cccc1C
InChIInChI=1S/C20H24N2O3/c1-5-21-20(23)18(22-24-4)17-12-7-6-11-16(17)13-25-19-14(2)9-8-10-15(19)3/h6-12H,5,13H2,1-4H3,(H,21,23)/b22-18+
InChIKeyZNTKTSKQODSCIT-RELWKKBWSA-N
XLogP3.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.37
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

(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl (2E)-2-[2-[[2-(2,2-dichloroethenyl)-6-methylphenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87559356
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
(2E)-2-[2-[[4-(2,2-dibromoethenyl)-2-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87558866
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide?
The IUPAC name of (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide (CID 18983978) is (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide.
What is the SMILES notation for (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide?
The canonical SMILES for (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide is CCNC(=O)/C(=N/OC)c1ccccc1COc1c(C)cccc1C.
What is the InChIKey of (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide?
The InChIKey is ZNTKTSKQODSCIT-RELWKKBWSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-21-20(23)18(22-24-4)17-12-7-6-11-16(17)13-25-19-14(2)9-8-10-15(19)3/h6-12H,5,13H2,1-4H3,(H,21,23)/b22-18+.
What are the key properties of (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide?
(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide is sourced from PubChem (CID 18983978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).