2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide

C10H20BrNO2 — CID 82110486

IUPAC2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide
SMILESCCOCCCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO2/c1-4-14-8-6-5-7-12-9(13)10(2,3)11/h4-8H2,1-3H3,(H,12,13)
InChIKeyZVQVQQHKJVANED-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.09
Rot. Bonds7

About 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide

2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide (PubChem CID 82110486) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide
PubChem CID82110486
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide
SMILESCCOCCCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H20BrNO2/c1-4-14-8-6-5-7-12-9(13)10(2,3)11/h4-8H2,1-3H3,(H,12,13)
InChIKeyZVQVQQHKJVANED-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide (CID 82110486) is 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide is CCOCCCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide?
The InChIKey is ZVQVQQHKJVANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-4-14-8-6-5-7-12-9(13)10(2,3)11/h4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide?
2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide has a molecular weight of 266.18 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide is sourced from PubChem (CID 82110486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).