2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide

C10H18BrNO — CID 63679316

IUPAC2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)CBr)C1CC1
InChIInChI=1S/C10H18BrNO/c1-8(2)5-6-12(9-3-4-9)10(13)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRSGAYROHHHXOOC-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.42
Rot. Bonds5

About 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide

2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide (PubChem CID 63679316) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
PubChem CID63679316
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C(=O)CBr)C1CC1
InChIInChI=1S/C10H18BrNO/c1-8(2)5-6-12(9-3-4-9)10(13)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRSGAYROHHHXOOC-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide (CID 63679316) is 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C(=O)CBr)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide?
The InChIKey is RSGAYROHHHXOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(2)5-6-12(9-3-4-9)10(13)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide?
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide has a molecular weight of 248.16 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 63679316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).