2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide

C10H18BrNO2 — CID 60920669

IUPAC2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)NCC1CCOC1
InChIInChI=1S/C10H18BrNO2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyZPRPHXRSCABRLO-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.56
Rot. Bonds4

About 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide

2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 60920669) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID60920669
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)NCC1CCOC1
InChIInChI=1S/C10H18BrNO2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyZPRPHXRSCABRLO-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.56
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-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide (CID 60920669) is 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide is CC(C)C(Br)C(=O)NCC1CCOC1.
What is the InChIKey of 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is ZPRPHXRSCABRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 264.16 g/mol, XLogP of 1.56, 4 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-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 60920669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).