N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide

C30H26N2O4 — CID 2297467

IUPACN-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
SMILESCc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1
InChIInChI=1S/C30H26N2O4/c1-18-14-19(2)29(20(3)15-18)32-28(33)17-35-25-10-6-5-9-24(25)30(34)31-21-12-13-23-22-8-4-7-11-26(22)36-27(23)16-21/h4-16H,17H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyFQXWMYILVDZEQV-UHFFFAOYSA-N
MW478.55 g/mol
LogP6.78
Rot. Bonds6

About N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide

N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide (PubChem CID 2297467) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
PubChem CID2297467
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC NameN-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
SMILESCc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1
InChIInChI=1S/C30H26N2O4/c1-18-14-19(2)29(20(3)15-18)32-28(33)17-35-25-10-6-5-9-24(25)30(34)31-21-12-13-23-22-8-4-7-11-26(22)36-27(23)16-21/h4-16H,17H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyFQXWMYILVDZEQV-UHFFFAOYSA-N
XLogP6.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The IUPAC name of N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide (CID 2297467) is N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide is Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
The InChIKey is FQXWMYILVDZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-18-14-19(2)29(20(3)15-18)32-28(33)17-35-25-10-6-5-9-24(25)30(34)31-21-12-13-23-22-8-4-7-11-26(22)36-27(23)16-21/h4-16H,17H2,1-3H3,(H,31,34)(H,32,33).
What are the key properties of N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide?
N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide has a molecular weight of 478.55 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide is sourced from PubChem (CID 2297467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).