N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide

C21H20N2O2 — CID 5043950

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=C1CC2C=CCC12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-20(23-22-19-14-15-8-7-13-18(15)19)21(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-12,15,18,25H,13-14H2,(H,23,24)
InChIKeyFXGAQUMEOREADN-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.99
Rot. Bonds4

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5043950) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide
PubChem CID5043950
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=C1CC2C=CCC12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-20(23-22-19-14-15-8-7-13-18(15)19)21(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-12,15,18,25H,13-14H2,(H,23,24)
InChIKeyFXGAQUMEOREADN-UHFFFAOYSA-N
XLogP2.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide (CID 5043950) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide is O=C(NN=C1CC2C=CCC12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is FXGAQUMEOREADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(23-22-19-14-15-8-7-13-18(15)19)21(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-12,15,18,25H,13-14H2,(H,23,24).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 332.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5043950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).