N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C20H19NO4 — CID 2999286

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1
InChIInChI=1S/C20H19NO4/c1-13-6-7-16-14(11-23-19(16)8-13)9-20(22)21-10-15-12-24-17-4-2-3-5-18(17)25-15/h2-8,11,15H,9-10,12H2,1H3,(H,21,22)
InChIKeyBOWVGZOKRMVKPY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.24
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2999286) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2999286
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1
InChIInChI=1S/C20H19NO4/c1-13-6-7-16-14(11-23-19(16)8-13)9-20(22)21-10-15-12-24-17-4-2-3-5-18(17)25-15/h2-8,11,15H,9-10,12H2,1H3,(H,21,22)
InChIKeyBOWVGZOKRMVKPY-UHFFFAOYSA-N
XLogP3.24
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
N-[2-[2-(3-methoxybenzoyl)-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl]ethyl]acetamide
CID 76324706
N-[2-(2-phenyl-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 76324707
N-[2-[2-(3-methoxyphenyl)-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl]ethyl]acetamide
CID 76335523
2-(6-methyl-1-benzofuran-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 2564980
N-(3,4-dimethoxybenzyl)-1-benzofuran-2-carboxamide
CID 6457308
N-[2-(3,4-diethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 8781304
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 16251681
[(1R)-2-(7-methoxy-1-benzofuran-3-yl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
CID 140861683
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethyl)acetamide
CID 1243461
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2081463
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2557030

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 2999286) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is BOWVGZOKRMVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-6-7-16-14(11-23-19(16)8-13)9-20(22)21-10-15-12-24-17-4-2-3-5-18(17)25-15/h2-8,11,15H,9-10,12H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2999286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).