2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide

C10H18BrNO — CID 43298708

IUPAC2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCC1CCC1
InChIInChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-6-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyINMBEPCWETWFLB-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.32
Rot. Bonds4

About 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide

2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide (PubChem CID 43298708) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide
PubChem CID43298708
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCC1CCC1
InChIInChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-6-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyINMBEPCWETWFLB-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-(cyclobutylmethyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide (CID 43298708) is 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide is CC(C)C(Br)C(=O)NCC1CCC1.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide?
The InChIKey is INMBEPCWETWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-6-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide?
2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide has a molecular weight of 248.16 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)-3-methylbutanamide is sourced from PubChem (CID 43298708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).