N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide

C13H24BrNO4 — CID 58153234

IUPACN-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COCCOCC(C)CC(=O)CBr
InChIInChI=1S/C13H24BrNO4/c1-10(6-13(17)7-14)8-18-4-5-19-9-11(2)15-12(3)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyPTZGETFXCRHOOI-UHFFFAOYSA-N
MW338.24 g/mol
LogP1.53
Rot. Bonds11

About N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide

N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide (PubChem CID 58153234) has the molecular formula C13H24BrNO4 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide
PubChem CID58153234
Molecular FormulaC13H24BrNO4
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC NameN-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COCCOCC(C)CC(=O)CBr
InChIInChI=1S/C13H24BrNO4/c1-10(6-13(17)7-14)8-18-4-5-19-9-11(2)15-12(3)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyPTZGETFXCRHOOI-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide (CID 58153234) is N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide is CC(=O)NC(C)COCCOCC(C)CC(=O)CBr.
What is the InChIKey of N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide?
The InChIKey is PTZGETFXCRHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO4/c1-10(6-13(17)7-14)8-18-4-5-19-9-11(2)15-12(3)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide?
N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide has a molecular weight of 338.24 g/mol, XLogP of 1.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide is sourced from PubChem (CID 58153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).