N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide

C22H19NO3 — CID 2943829

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cc1ccc(C)cc1)oc1ccccc12
InChIInChI=1S/C22H19NO3/c1-14-7-9-15(10-8-14)11-22(24)23-18-13-20-17(12-21(18)25-2)16-5-3-4-6-19(16)26-20/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyDUGQUFSMSKJFLC-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.08
Rot. Bonds4

About N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide

N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 2943829) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID2943829
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cc1ccc(C)cc1)oc1ccccc12
InChIInChI=1S/C22H19NO3/c1-14-7-9-15(10-8-14)11-22(24)23-18-13-20-17(12-21(18)25-2)16-5-3-4-6-19(16)26-20/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyDUGQUFSMSKJFLC-UHFFFAOYSA-N
XLogP5.08
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide (CID 2943829) is N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide is COc1cc2c(cc1NC(=O)Cc1ccc(C)cc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is DUGQUFSMSKJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-14-7-9-15(10-8-14)11-22(24)23-18-13-20-17(12-21(18)25-2)16-5-3-4-6-19(16)26-20/h3-10,12-13H,11H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 2943829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).