2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide

C26H23NO4 — CID 142265013

IUPAC2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide
SMILESCC1(c2ccccc2)CC(Cc2ccccc2)(C(=O)Nc2ccc3c(c2)COC3=O)O1
InChIInChI=1S/C26H23NO4/c1-25(20-10-6-3-7-11-20)17-26(31-25,15-18-8-4-2-5-9-18)24(29)27-21-12-13-22-19(14-21)16-30-23(22)28/h2-14H,15-17H2,1H3,(H,27,29)
InChIKeyLYBSZIMFVUMFIM-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.61
Rot. Bonds5

About 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide

2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide (PubChem CID 142265013) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide
PubChem CID142265013
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide
SMILESCC1(c2ccccc2)CC(Cc2ccccc2)(C(=O)Nc2ccc3c(c2)COC3=O)O1
InChIInChI=1S/C26H23NO4/c1-25(20-10-6-3-7-11-20)17-26(31-25,15-18-8-4-2-5-9-18)24(29)27-21-12-13-22-19(14-21)16-30-23(22)28/h2-14H,15-17H2,1H3,(H,27,29)
InChIKeyLYBSZIMFVUMFIM-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide (CID 142265013) is 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide is CC1(c2ccccc2)CC(Cc2ccccc2)(C(=O)Nc2ccc3c(c2)COC3=O)O1.
What is the InChIKey of 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide?
The InChIKey is LYBSZIMFVUMFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-25(20-10-6-3-7-11-20)17-26(31-25,15-18-8-4-2-5-9-18)24(29)27-21-12-13-22-19(14-21)16-30-23(22)28/h2-14H,15-17H2,1H3,(H,27,29).
What are the key properties of 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide?
2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenyloxetane-2-carboxamide is sourced from PubChem (CID 142265013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).