2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C20H22N2O5 — CID 25163748

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H22N2O5/c1-22(13-19(23)21-15-4-3-5-16(12-15)25-2)20(24)11-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,23)
InChIKeyWVBXERNEZLPMMC-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.11
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 25163748) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID25163748
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H22N2O5/c1-22(13-19(23)21-15-4-3-5-16(12-15)25-2)20(24)11-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,23)
InChIKeyWVBXERNEZLPMMC-UHFFFAOYSA-N
XLogP2.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18155389
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 27219022
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847156

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 25163748) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is WVBXERNEZLPMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22(13-19(23)21-15-4-3-5-16(12-15)25-2)20(24)11-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 370.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 25163748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).