N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C20H20N2O4 — CID 18267073

IUPACN-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)C1CCc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-22(16-8-6-13-4-2-3-5-15(13)16)19(23)11-21-20(24)14-7-9-17-18(10-14)26-12-25-17/h2-5,7,9-10,16H,6,8,11-12H2,1H3,(H,21,24)
InChIKeyRMAFLLYILDQYIK-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds4

About N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 18267073) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID18267073
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)C1CCc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-22(16-8-6-13-4-2-3-5-15(13)16)19(23)11-21-20(24)14-7-9-17-18(10-14)26-12-25-17/h2-5,7,9-10,16H,6,8,11-12H2,1H3,(H,21,24)
InChIKeyRMAFLLYILDQYIK-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-methylamino]acetic acid
CID 120513618
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7535764
N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27827538
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-(1,3-benzodioxol-5-yl)-2-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]benzamide
CID 36677817
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17486763
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylhexanamide
CID 55540063

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 18267073) is N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is CN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)C1CCc2ccccc21.
What is the InChIKey of N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is RMAFLLYILDQYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22(16-8-6-13-4-2-3-5-15(13)16)19(23)11-21-20(24)14-7-9-17-18(10-14)26-12-25-17/h2-5,7,9-10,16H,6,8,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18267073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).