2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide

C25H27N3O3 — CID 147799726

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccc(C)cn2)nc1
InChIInChI=1S/C25H27N3O3/c1-17-8-10-20(26-13-17)15-28(22-11-9-18(2)14-27-22)23(29)16-30-21-7-5-6-19-12-25(3,4)31-24(19)21/h5-11,13-14H,12,15-16H2,1-4H3
InChIKeyHLGWVRAWUXLABB-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.42
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 147799726) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide
PubChem CID147799726
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccc(C)cn2)nc1
InChIInChI=1S/C25H27N3O3/c1-17-8-10-20(26-13-17)15-28(22-11-9-18(2)14-27-22)23(29)16-30-21-7-5-6-19-12-25(3,4)31-24(19)21/h5-11,13-14H,12,15-16H2,1-4H3
InChIKeyHLGWVRAWUXLABB-UHFFFAOYSA-N
XLogP4.42
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide
CID 2525240
2-[3-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192849
1-[(1-Naphthyloxy)acetyl]-4-(2-pyridinyl)piperazine
CID 892054
2-(4-Tert-butylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
CID 1158958
CID 6602890
CID 6602890
2-Phenoxy-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 16015918
2-(4-Methylphenoxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 16015922
2-(3,4-Dimethylphenoxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 16015948
1-[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-phenylmethoxyethanone
CID 155533838
1-(4-Pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone
CID 893229
N-benzyl-2-(3-methylphenoxy)-N-(pyridin-2-yl)acetamide
CID 16013197

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide (CID 147799726) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide is Cc1ccc(CN(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccc(C)cn2)nc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is HLGWVRAWUXLABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-8-10-20(26-13-17)15-28(22-11-9-18(2)14-27-22)23(29)16-30-21-7-5-6-19-12-25(3,4)31-24(19)21/h5-11,13-14H,12,15-16H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 147799726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).