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

C17H25BrN2O3 — CID 24981665

IUPAC2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-13(23-15-6-4-14(18)5-7-15)16(21)19-12-17(2,3)20-8-10-22-11-9-20/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyIHWNEKWILIWTOP-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.44
Rot. Bonds6

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

2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (PubChem CID 24981665) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
PubChem CID24981665
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC Name2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-13(23-15-6-4-14(18)5-7-15)16(21)19-12-17(2,3)20-8-10-22-11-9-20/h4-7,13H,8-12H2,1-3H3,(H,19,21)
InChIKeyIHWNEKWILIWTOP-UHFFFAOYSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (CID 24981665) is 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The InChIKey is IHWNEKWILIWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-13(23-15-6-4-14(18)5-7-15)16(21)19-12-17(2,3)20-8-10-22-11-9-20/h4-7,13H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide has a molecular weight of 385.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 24981665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).