methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate

C23H24N2O4 — CID 24970808

IUPACmethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1
InChIInChI=1S/C23H24N2O4/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)24-29-14-18-7-5-6-8-21(18)22(25-28-4)23(26)27-3/h5-12H,13-14H2,1-4H3/b24-16+,25-22+
InChIKeyHCQGIZHMWWLQFS-KIGCCDCASA-N
MW392.46 g/mol
LogP4.05
Rot. Bonds7

About methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate

methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate (PubChem CID 24970808) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate
PubChem CID24970808
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate
SMILESCO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1
InChIInChI=1S/C23H24N2O4/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)24-29-14-18-7-5-6-8-21(18)22(25-28-4)23(26)27-3/h5-12H,13-14H2,1-4H3/b24-16+,25-22+
InChIKeyHCQGIZHMWWLQFS-KIGCCDCASA-N
XLogP4.05
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate (CID 24970808) is methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate is CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(C)cc2C1.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate?
The InChIKey is HCQGIZHMWWLQFS-KIGCCDCASA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-9-10-17-12-19(13-20(17)11-15)16(2)24-29-14-18-7-5-6-8-21(18)22(25-28-4)23(26)27-3/h5-12H,13-14H2,1-4H3/b24-16+,25-22+.
What are the key properties of methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate?
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate has a molecular weight of 392.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetate is sourced from PubChem (CID 24970808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).