3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

C17H25BrN2O3 — CID 51146623

IUPAC3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCOc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-17(2,20-7-10-22-11-8-20)13-19-16(21)6-9-23-15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyVQXFDEPIZQTZOV-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.44
Rot. Bonds7

About 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (PubChem CID 51146623) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
PubChem CID51146623
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC Name3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCOc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-17(2,20-7-10-22-11-8-20)13-19-16(21)6-9-23-15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyVQXFDEPIZQTZOV-UHFFFAOYSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 86923266
N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
1-[[3-(3-bromophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450040
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005903

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (CID 51146623) is 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is CC(C)(CNC(=O)CCOc1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The InChIKey is VQXFDEPIZQTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-17(2,20-7-10-22-11-8-20)13-19-16(21)6-9-23-15-5-3-4-14(18)12-15/h3-5,12H,6-11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide has a molecular weight of 385.30 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 51146623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).