2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide

C22H27BrN2O4 — CID 55538487

IUPAC2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C22H27BrN2O4/c1-3-25(4-2)9-10-27-19-8-6-5-7-18(19)24-22(26)14-16-13-20-21(15-17(16)23)29-12-11-28-20/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,24,26)
InChIKeyXGAWQVOIAGNCRJ-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.12
Rot. Bonds9

About 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide (PubChem CID 55538487) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
PubChem CID55538487
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)Cc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C22H27BrN2O4/c1-3-25(4-2)9-10-27-19-8-6-5-7-18(19)24-22(26)14-16-13-20-21(15-17(16)23)29-12-11-28-20/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,24,26)
InChIKeyXGAWQVOIAGNCRJ-UHFFFAOYSA-N
XLogP4.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-chlorophenyl)acetamide
CID 55386498
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,3-dimethylphenyl)acetamide
CID 39966173
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 55538484
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55528913
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55528270
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119952938
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
CID 171667119
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide (CID 55538487) is 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide is CCN(CC)CCOc1ccccc1NC(=O)Cc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide?
The InChIKey is XGAWQVOIAGNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-3-25(4-2)9-10-27-19-8-6-5-7-18(19)24-22(26)14-16-13-20-21(15-17(16)23)29-12-11-28-20/h5-8,13,15H,3-4,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide?
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide has a molecular weight of 463.37 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 55538487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).