(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide

C20H24N2O4 — CID 22847652

IUPAC(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-17-10-7-9-16(12-17)25-13-15-8-5-6-11-18(15)19(22-24-4)20(23)21-3/h5-12,14H,13H2,1-4H3,(H,21,23)/b22-19+
InChIKeyBHAZIWLMGWVPDC-ZBJSNUHESA-N
MW356.42 g/mol
LogP3.15
Rot. Bonds8

About (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide

(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide (PubChem CID 22847652) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
PubChem CID22847652
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)26-17-10-7-9-16(12-17)25-13-15-8-5-6-11-18(15)19(22-24-4)20(23)21-3/h5-12,14H,13H2,1-4H3,(H,21,23)/b22-19+
InChIKeyBHAZIWLMGWVPDC-ZBJSNUHESA-N
XLogP3.15
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.15
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

(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-4-(4-propan-2-yloxyphenyl)but-3-yn-2-ylideneamino]oxymethyl]phenyl]acetamide
CID 162385278
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
2-[2-[[3,5-dichloro-4-(2,2-dimethylpropoxy)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173157091
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
CID 22457454

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide (CID 22847652) is (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(OC(C)C)c1.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide?
The InChIKey is BHAZIWLMGWVPDC-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)26-17-10-7-9-16(12-17)25-13-15-8-5-6-11-18(15)19(22-24-4)20(23)21-3/h5-12,14H,13H2,1-4H3,(H,21,23)/b22-19+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide?
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide is sourced from PubChem (CID 22847652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).