N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

C21H21NO5 — CID 2532585

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)C[C@@H]3COc4ccccc4O3)coc2c1
InChIInChI=1S/C21H21NO5/c1-22(11-16-13-26-18-5-3-4-6-19(18)27-16)21(23)9-14-12-25-20-10-15(24-2)7-8-17(14)20/h3-8,10,12,16H,9,11,13H2,1-2H3/t16-/m1/s1
InChIKeyYGRYTBJASIUBJP-MRXNPFEDSA-N
MW367.40 g/mol
LogP3.28
Rot. Bonds5

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 2532585) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID2532585
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)C[C@@H]3COc4ccccc4O3)coc2c1
InChIInChI=1S/C21H21NO5/c1-22(11-16-13-26-18-5-3-4-6-19(18)27-16)21(23)9-14-12-25-20-10-15(24-2)7-8-17(14)20/h3-8,10,12,16H,9,11,13H2,1-2H3/t16-/m1/s1
InChIKeyYGRYTBJASIUBJP-MRXNPFEDSA-N
XLogP3.28
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749
(3R)-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7936928
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
CID 9115996
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55980249
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methylacetamide
CID 99994544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42896195
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide
CID 9337612
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817257
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552458
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 97269960
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26980149

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide (CID 2532585) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide is COc1ccc2c(CC(=O)N(C)C[C@@H]3COc4ccccc4O3)coc2c1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is YGRYTBJASIUBJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21NO5/c1-22(11-16-13-26-18-5-3-4-6-19(18)27-16)21(23)9-14-12-25-20-10-15(24-2)7-8-17(14)20/h3-8,10,12,16H,9,11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 367.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 2532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).