(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide

C19H18N2O5 — CID 22457454

IUPAC(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C19H18N2O5/c1-20-19(23)18(21-24-2)14-6-4-3-5-12(14)10-25-13-7-8-15-16(22)11-26-17(15)9-13/h3-9H,10-11H2,1-2H3,(H,20,23)/b21-18+
InChIKeyRPYNBBLMXJPFJM-DYTRJAOYSA-N
MW354.36 g/mol
LogP1.94
Rot. Bonds6

About (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide

(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide (PubChem CID 22457454) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
PubChem CID22457454
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C19H18N2O5/c1-20-19(23)18(21-24-2)14-6-4-3-5-12(14)10-25-13-7-8-15-16(22)11-26-17(15)9-13/h3-9H,10-11H2,1-2H3,(H,20,23)/b21-18+
InChIKeyRPYNBBLMXJPFJM-DYTRJAOYSA-N
XLogP1.94
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl (2E)-2-methoxyimino-2-[2-[(3-methoxyimino-1-benzofuran-6-yl)oxymethyl]phenyl]acetate
CID 142645481
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755
methyl (1E)-N-methoxy-2-[2-[[(3E)-3-methoxyimino-1-benzofuran-6-yl]oxymethyl]phenyl]ethanimidate
CID 11760424
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
(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-[2-[[3,5-dichloro-4-(2,2-dimethylpropoxy)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173157091

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide (CID 22457454) is (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1ccc2c(c1)OCC2=O.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide?
The InChIKey is RPYNBBLMXJPFJM-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-20-19(23)18(21-24-2)14-6-4-3-5-12(14)10-25-13-7-8-15-16(22)11-26-17(15)9-13/h3-9H,10-11H2,1-2H3,(H,20,23)/b21-18+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide?
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide has a molecular weight of 354.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide is sourced from PubChem (CID 22457454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).