2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid

C24H22N2O6 — CID 173430042

IUPAC2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid
SMILESO=C(O)C(=NOC1(C(=O)NOC(c2ccccc2)c2ccccc2)CCC1)c1ccco1
InChIInChI=1S/C24H22N2O6/c27-22(28)20(19-13-7-16-30-19)25-32-24(14-8-15-24)23(29)26-31-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-7,9-13,16,21H,8,14-15H2,(H,26,29)(H,27,28)
InChIKeyFGQFAHJOCXYFHY-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.85
Rot. Bonds9

About 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid

2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid (PubChem CID 173430042) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid
PubChem CID173430042
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid
SMILESO=C(O)C(=NOC1(C(=O)NOC(c2ccccc2)c2ccccc2)CCC1)c1ccco1
InChIInChI=1S/C24H22N2O6/c27-22(28)20(19-13-7-16-30-19)25-32-24(14-8-15-24)23(29)26-31-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-7,9-13,16,21H,8,14-15H2,(H,26,29)(H,27,28)
InChIKeyFGQFAHJOCXYFHY-UHFFFAOYSA-N
XLogP3.85
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
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'}

Analyze 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid?
The IUPAC name of 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid (CID 173430042) is 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid.
What is the SMILES notation for 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid?
The canonical SMILES for 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid is O=C(O)C(=NOC1(C(=O)NOC(c2ccccc2)c2ccccc2)CCC1)c1ccco1.
What is the InChIKey of 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid?
The InChIKey is FGQFAHJOCXYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c27-22(28)20(19-13-7-16-30-19)25-32-24(14-8-15-24)23(29)26-31-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-7,9-13,16,21H,8,14-15H2,(H,26,29)(H,27,28).
What are the key properties of 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid?
2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid has a molecular weight of 434.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzhydryloxycarbamoyl)cyclobutyl]oxyimino-2-(furan-2-yl)acetic acid is sourced from PubChem (CID 173430042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).