N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C23H29N3O — CID 137105507

IUPACN-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCC(C)(C)c1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)cc1
InChIInChI=1S/C23H29N3O/c1-22(2,3)18-10-8-17(9-11-18)16-24-21-23(12-14-27-15-13-23)26-20-7-5-4-6-19(20)25-21/h4-11,26H,12-16H2,1-3H3,(H,24,25)
InChIKeyYCLZJEUZKJNDJH-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.97
Rot. Bonds2

About N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137105507) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137105507
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCC(C)(C)c1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)cc1
InChIInChI=1S/C23H29N3O/c1-22(2,3)18-10-8-17(9-11-18)16-24-21-23(12-14-27-15-13-23)26-20-7-5-4-6-19(20)25-21/h4-11,26H,12-16H2,1-3H3,(H,24,25)
InChIKeyYCLZJEUZKJNDJH-UHFFFAOYSA-N
XLogP4.97
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137105507) is N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is CC(C)(C)c1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is YCLZJEUZKJNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-22(2,3)18-10-8-17(9-11-18)16-24-21-23(12-14-27-15-13-23)26-20-7-5-4-6-19(20)25-21/h4-11,26H,12-16H2,1-3H3,(H,24,25).
What are the key properties of N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 363.51 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).