1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine

C23H23NO3 — CID 1284619

IUPAC1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine
SMILESCC1(c2ccccc2)CC(C(=NOC[C@H]2CO2)c2cc3ccccc3o2)C1
InChIInChI=1S/C23H23NO3/c1-23(18-8-3-2-4-9-18)12-17(13-23)22(24-26-15-19-14-25-19)21-11-16-7-5-6-10-20(16)27-21/h2-11,17,19H,12-15H2,1H3/t17?,19-,23?/m1/s1
InChIKeyYUMBUCQVTMGBQL-ZUZNIGHFSA-N
MW361.44 g/mol
LogP4.92
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine

1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine (PubChem CID 1284619) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine
PubChem CID1284619
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine
SMILESCC1(c2ccccc2)CC(C(=NOC[C@H]2CO2)c2cc3ccccc3o2)C1
InChIInChI=1S/C23H23NO3/c1-23(18-8-3-2-4-9-18)12-17(13-23)22(24-26-15-19-14-25-19)21-11-16-7-5-6-10-20(16)27-21/h2-11,17,19H,12-15H2,1H3/t17?,19-,23?/m1/s1
InChIKeyYUMBUCQVTMGBQL-ZUZNIGHFSA-N
XLogP4.92
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine (CID 1284619) is 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine is CC1(c2ccccc2)CC(C(=NOC[C@H]2CO2)c2cc3ccccc3o2)C1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine?
The InChIKey is YUMBUCQVTMGBQL-ZUZNIGHFSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(18-8-3-2-4-9-18)12-17(13-23)22(24-26-15-19-14-25-19)21-11-16-7-5-6-10-20(16)27-21/h2-11,17,19H,12-15H2,1H3/t17?,19-,23?/m1/s1.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine?
1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine has a molecular weight of 361.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-[[(2R)-oxiran-2-yl]methoxy]methanimine is sourced from PubChem (CID 1284619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).