2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide

C11H20BrNO2 — CID 61040205

IUPAC2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(C)C(Br)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-8(2)10(12)11(14)13-6-5-9-4-3-7-15-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyKWDKOWJHXGZPRZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds5

About 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide

2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide (PubChem CID 61040205) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
PubChem CID61040205
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(C)C(Br)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-8(2)10(12)11(14)13-6-5-9-4-3-7-15-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyKWDKOWJHXGZPRZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide (CID 61040205) is 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide is CC(C)C(Br)C(=O)NCCC1CCCO1.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is KWDKOWJHXGZPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-8(2)10(12)11(14)13-6-5-9-4-3-7-15-9/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide?
2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 61040205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).