3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide

C14H20Br2N2O2 — CID 107739892

IUPAC3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Br)cc(CC(C)N)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-3-18-13(19)4-5-20-14-11(15)7-10(6-9(2)17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyXDRXESNEKLBOEV-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.01
Rot. Bonds7

About 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide

3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide (PubChem CID 107739892) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
PubChem CID107739892
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Br)cc(CC(C)N)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-3-18-13(19)4-5-20-14-11(15)7-10(6-9(2)17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyXDRXESNEKLBOEV-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
CID 107739825
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
CID 107739745
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
1-[3,5-dibromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 107739872
3-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]-N-ethylpropanamide
CID 63044681
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide (CID 107739892) is 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1c(Br)cc(CC(C)N)cc1Br.
What is the InChIKey of 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide?
The InChIKey is XDRXESNEKLBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-3-18-13(19)4-5-20-14-11(15)7-10(6-9(2)17)8-12(14)16/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide?
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide has a molecular weight of 408.13 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 107739892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).