2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide

C12H22BrNO — CID 63632991

IUPAC2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14(3)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3
InChIKeyXJSVKOOHJFHICB-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.05
Rot. Bonds4

About 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide

2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide (PubChem CID 63632991) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide
PubChem CID63632991
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14(3)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3
InChIKeyXJSVKOOHJFHICB-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide (CID 63632991) is 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide is CC(C)C(Br)C(=O)N(C)CC1CCCC1.
What is the InChIKey of 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide?
The InChIKey is XJSVKOOHJFHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14(3)8-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide?
2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide has a molecular weight of 276.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopentylmethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 63632991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).