(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide

C26H33N3O5 — CID 175254542

IUPAC(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide
SMILESCCC/C(=N\OC)c1cc2c(c(OCc3ccccc3/C(=N\OC)C(=O)NC)c1)OC(C)(C)C2
InChIInChI=1S/C26H33N3O5/c1-7-10-21(28-31-5)18-13-19-15-26(2,3)34-24(19)22(14-18)33-16-17-11-8-9-12-20(17)23(29-32-6)25(30)27-4/h8-9,11-14H,7,10,15-16H2,1-6H3,(H,27,30)/b28-21+,29-23+
InChIKeyNUPOIOVLUCYPOQ-RCXPEZBOSA-N
MW467.57 g/mol
LogP4.23
Rot. Bonds10

About (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide

(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide (PubChem CID 175254542) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide
PubChem CID175254542
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide
SMILESCCC/C(=N\OC)c1cc2c(c(OCc3ccccc3/C(=N\OC)C(=O)NC)c1)OC(C)(C)C2
InChIInChI=1S/C26H33N3O5/c1-7-10-21(28-31-5)18-13-19-15-26(2,3)34-24(19)22(14-18)33-16-17-11-8-9-12-20(17)23(29-32-6)25(30)27-4/h8-9,11-14H,7,10,15-16H2,1-6H3,(H,27,30)/b28-21+,29-23+
InChIKeyNUPOIOVLUCYPOQ-RCXPEZBOSA-N
XLogP4.23
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.23
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-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of (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) is (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide is CCC/C(=N\OC)c1cc2c(c(OCc3ccccc3/C(=N\OC)C(=O)NC)c1)OC(C)(C)C2.
What is the InChIKey of (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is NUPOIOVLUCYPOQ-RCXPEZBOSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-7-10-21(28-31-5)18-13-19-15-26(2,3)34-24(19)22(14-18)33-16-17-11-8-9-12-20(17)23(29-32-6)25(30)27-4/h8-9,11-14H,7,10,15-16H2,1-6H3,(H,27,30)/b28-21+,29-23+.
What are the key properties of (2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide?
(2E)-2-methoxyimino-2-[2-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 467.57 g/mol, XLogP of 4.23, 10 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-[[5-[(E)-N-methoxy-C-propylcarbonimidoyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 175254542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).