(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide

C22H24N4O4 — CID 45276663

IUPAC(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cc(-c2ccccc2OC)nn1C
InChIInChI=1S/C22H24N4O4/c1-23-22(27)21(25-29-4)16-10-6-5-9-15(16)14-30-20-13-18(24-26(20)2)17-11-7-8-12-19(17)28-3/h5-13H,14H2,1-4H3,(H,23,27)/b25-21+
InChIKeyFQVFSWOUNDWHHM-NJNXFGOHSA-N
MW408.46 g/mol
LogP2.77
Rot. Bonds8

About (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide

(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide (PubChem CID 45276663) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide
PubChem CID45276663
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1cc(-c2ccccc2OC)nn1C
InChIInChI=1S/C22H24N4O4/c1-23-22(27)21(25-29-4)16-10-6-5-9-15(16)14-30-20-13-18(24-26(20)2)17-11-7-8-12-19(17)28-3/h5-13H,14H2,1-4H3,(H,23,27)/b25-21+
InChIKeyFQVFSWOUNDWHHM-NJNXFGOHSA-N
XLogP2.77
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide (CID 45276663) is (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1cc(-c2ccccc2OC)nn1C.
What is the InChIKey of (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is FQVFSWOUNDWHHM-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-23-22(27)21(25-29-4)16-10-6-5-9-15(16)14-30-20-13-18(24-26(20)2)17-11-7-8-12-19(17)28-3/h5-13H,14H2,1-4H3,(H,23,27)/b25-21+.
What are the key properties of (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide?
(2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 408.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 45276663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).