2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C20H22N2O3 — CID 8747426

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O3/c1-22(11-14-5-8-18-19(9-14)25-13-24-18)12-20(23)21-17-7-6-15-3-2-4-16(15)10-17/h5-10H,2-4,11-13H2,1H3,(H,21,23)
InChIKeyOEOGNYXKLZZVKE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds5

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 8747426) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID8747426
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22N2O3/c1-22(11-14-5-8-18-19(9-14)25-13-24-18)12-20(23)21-17-7-6-15-3-2-4-16(15)10-17/h5-10H,2-4,11-13H2,1H3,(H,21,23)
InChIKeyOEOGNYXKLZZVKE-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide;oxalic acid
CID 17401843
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17249590
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)acetamide
CID 8745698
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 2527490
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433749

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 8747426) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is OEOGNYXKLZZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(11-14-5-8-18-19(9-14)25-13-24-18)12-20(23)21-17-7-6-15-3-2-4-16(15)10-17/h5-10H,2-4,11-13H2,1H3,(H,21,23).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 8747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).