2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C20H22BrNO4 — CID 55588283

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H22BrNO4/c1-13(15-6-4-5-7-17(15)24-3)22(2)20(23)11-14-10-18-19(12-16(14)21)26-9-8-25-18/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyMZJJTEKMBXPBHU-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.99
Rot. Bonds5

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 55588283) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID55588283
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H22BrNO4/c1-13(15-6-4-5-7-17(15)24-3)22(2)20(23)11-14-10-18-19(12-16(14)21)26-9-8-25-18/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyMZJJTEKMBXPBHU-UHFFFAOYSA-N
XLogP3.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide with MolForge

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Related Compounds

N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 46482680
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 55388733
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
methyl 3-[[2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(2-chlorophenyl)propanoate
CID 55440663
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
methyl 3-[[2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440520
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 55588283) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1C(C)N(C)C(=O)Cc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is MZJJTEKMBXPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-13(15-6-4-5-7-17(15)24-3)22(2)20(23)11-14-10-18-19(12-16(14)21)26-9-8-25-18/h4-7,10,12-13H,8-9,11H2,1-3H3.
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 420.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 55588283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).