(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C21H24N2O4 — CID 156700049

IUPAC(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C21H24N2O4/c1-21(2)12-14-9-7-11-17(19(14)27-21)26-13-15-8-5-6-10-16(15)18(23-25-4)20(24)22-3/h5-11H,12-13H2,1-4H3,(H,22,24)/b23-18+
InChIKeyUPHMBYZLQLPHEP-PTGBLXJZSA-N
MW368.43 g/mol
LogP3.08
Rot. Bonds6

About (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 156700049) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID156700049
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C21H24N2O4/c1-21(2)12-14-9-7-11-17(19(14)27-21)26-13-15-8-5-6-10-16(15)18(23-25-4)20(24)22-3/h5-11H,12-13H2,1-4H3,(H,22,24)/b23-18+
InChIKeyUPHMBYZLQLPHEP-PTGBLXJZSA-N
XLogP3.08
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.08
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

(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide
CID 175254542
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
CID 54271565
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(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-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 156700049) is (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is UPHMBYZLQLPHEP-PTGBLXJZSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)12-14-9-7-11-17(19(14)27-21)26-13-15-8-5-6-10-16(15)18(23-25-4)20(24)22-3/h5-11H,12-13H2,1-4H3,(H,22,24)/b23-18+.
What are the key properties of (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 368.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 156700049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).