2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide

C19H23BrN2O3 — CID 39949555

IUPAC2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C19H23BrN2O3/c1-4-22(5-2)17(23)12-21(3)18(24)13-25-16-11-10-14-8-6-7-9-15(14)19(16)20/h6-11H,4-5,12-13H2,1-3H3
InChIKeyWTUBZTFHUIFYDM-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.31
Rot. Bonds7

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide (PubChem CID 39949555) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
PubChem CID39949555
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C19H23BrN2O3/c1-4-22(5-2)17(23)12-21(3)18(24)13-25-16-11-10-14-8-6-7-9-15(14)19(16)20/h6-11H,4-5,12-13H2,1-3H3
InChIKeyWTUBZTFHUIFYDM-UHFFFAOYSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 60645400
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
2-[(2-dibenzofuran-2-yloxyacetyl)-methylamino]-N,N-diethylacetamide
CID 9229917
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide (CID 39949555) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is WTUBZTFHUIFYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-4-22(5-2)17(23)12-21(3)18(24)13-25-16-11-10-14-8-6-7-9-15(14)19(16)20/h6-11H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide?
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 407.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 39949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).