2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide

C23H21N3O3 — CID 48666812

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C23H21N3O3/c1-14-5-7-19-17(13-28-22(19)16(14)3)12-21(27)26-20-8-6-18(11-15(20)2)29-23-24-9-4-10-25-23/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyRGWUKGSKMJPMIS-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.12
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 48666812) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID48666812
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C23H21N3O3/c1-14-5-7-19-17(13-28-22(19)16(14)3)12-21(27)26-20-8-6-18(11-15(20)2)29-23-24-9-4-10-25-23/h4-11,13H,12H2,1-3H3,(H,26,27)
InChIKeyRGWUKGSKMJPMIS-UHFFFAOYSA-N
XLogP5.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide
CID 29371500
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46426387
N-(3-chloro-2-fluorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 9146411
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide (CID 48666812) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1coc2c(C)c(C)ccc12.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is RGWUKGSKMJPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-5-7-19-17(13-28-22(19)16(14)3)12-21(27)26-20-8-6-18(11-15(20)2)29-23-24-9-4-10-25-23/h4-11,13H,12H2,1-3H3,(H,26,27).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 48666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).