N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine

C24H29NO2 — CID 135002067

IUPACN-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\OC(Oc2ccccc2)(C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H29NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h5,8-11,14-18H,4,6-7,12-13H2,1-3H3/b25-22-
InChIKeySATXQAHAPWNIRH-LVWGJNHUSA-N
MW363.50 g/mol
LogP6.07
Rot. Bonds3

About N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine

N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine (PubChem CID 135002067) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine
PubChem CID135002067
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine
SMILESCC(C)(C)/N=C1\OC(Oc2ccccc2)(C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H29NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h5,8-11,14-18H,4,6-7,12-13H2,1-3H3/b25-22-
InChIKeySATXQAHAPWNIRH-LVWGJNHUSA-N
XLogP6.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.07
H-Bond Donors ≤ 50
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-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine?
The IUPAC name of N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine (CID 135002067) is N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine.
What is the SMILES notation for N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine?
The canonical SMILES for N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine is CC(C)(C)/N=C1\OC(Oc2ccccc2)(C2CCCCC2)c2ccccc21.
What is the InChIKey of N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine?
The InChIKey is SATXQAHAPWNIRH-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H29NO2/c1-23(2,3)25-22-20-16-10-11-17-21(20)24(27-22,18-12-6-4-7-13-18)26-19-14-8-5-9-15-19/h5,8-11,14-18H,4,6-7,12-13H2,1-3H3/b25-22-.
What are the key properties of N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine?
N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine has a molecular weight of 363.50 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclohexyl-3-phenoxy-2-benzofuran-1-imine is sourced from PubChem (CID 135002067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).