N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide

C21H21NO4 — CID 18116195

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCCc1ccc2c(CC(=O)N(C)Cc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C21H21NO4/c1-3-14-4-6-17-16(12-24-19(17)8-14)10-21(23)22(2)11-15-5-7-18-20(9-15)26-13-25-18/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyDGJUDPGHOBBZEW-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.92
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 18116195) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID18116195
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCCc1ccc2c(CC(=O)N(C)Cc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C21H21NO4/c1-3-14-4-6-17-16(12-24-19(17)8-14)10-21(23)22(2)11-15-5-7-18-20(9-15)26-13-25-18/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyDGJUDPGHOBBZEW-UHFFFAOYSA-N
XLogP3.92
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 38041694
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18111539
1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8766155
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 8752015
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
2-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 75404810
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
CID 26072038
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 18116195) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide is CCc1ccc2c(CC(=O)N(C)Cc3ccc4c(c3)OCO4)coc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is DGJUDPGHOBBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-14-4-6-17-16(12-24-19(17)8-14)10-21(23)22(2)11-15-5-7-18-20(9-15)26-13-25-18/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 18116195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).