2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C17H25BrN2O3 — CID 18153802

IUPAC2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-13(2)16(20-7-9-22-10-8-20)11-19-17(21)12-23-15-5-3-14(18)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,19,21)
InChIKeyZBGCFAAUMGZIGB-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 18153802) has the molecular formula C17H25BrN2O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID18153802
Molecular FormulaC17H25BrN2O3
Molecular Weight385.30 g/mol
Exact Mass384.10
IUPAC Name2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O3/c1-13(2)16(20-7-9-22-10-8-20)11-19-17(21)12-23-15-5-3-14(18)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,19,21)
InChIKeyZBGCFAAUMGZIGB-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 18153802) is 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is CC(C)C(CNC(=O)COc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is ZBGCFAAUMGZIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3/c1-13(2)16(20-7-9-22-10-8-20)11-19-17(21)12-23-15-5-3-14(18)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 385.30 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 18153802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).