N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide

C20H20N2O4 — CID 42891727

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O4/c1-13(18-9-14-5-3-4-6-16(14)26-18)22(2)11-20(23)21-15-7-8-17-19(10-15)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyGFACORWCVPGRRL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.79
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide (PubChem CID 42891727) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
PubChem CID42891727
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide
SMILESCC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N2O4/c1-13(18-9-14-5-3-4-6-16(14)26-18)22(2)11-20(23)21-15-7-8-17-19(10-15)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyGFACORWCVPGRRL-UHFFFAOYSA-N
XLogP3.79
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
N-(1,3-benzodioxol-5-yl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 46573614
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylpropanamide
CID 51728417
2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119913138
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397086
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049649
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27251961

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide (CID 42891727) is N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide is CC(c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide?
The InChIKey is GFACORWCVPGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(18-9-14-5-3-4-6-16(14)26-18)22(2)11-20(23)21-15-7-8-17-19(10-15)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]acetamide is sourced from PubChem (CID 42891727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).