2-bromo-N-(3,3-dimethylcyclopentyl)butanamide

C11H20BrNO — CID 114544484

IUPAC2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
SMILESCCC(Br)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H20BrNO/c1-4-9(12)10(14)13-8-5-6-11(2,3)7-8/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyAILITRCJVKWSBE-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide

2-bromo-N-(3,3-dimethylcyclopentyl)butanamide (PubChem CID 114544484) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
PubChem CID114544484
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
SMILESCCC(Br)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H20BrNO/c1-4-9(12)10(14)13-8-5-6-11(2,3)7-8/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyAILITRCJVKWSBE-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
CID 114546344
2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide
CID 114546516
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
4-(2-bromobutanoylamino)cyclohexane-1-carboxamide
CID 62854482
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055
N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
CID 115881736
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide?
The IUPAC name of 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide (CID 114544484) is 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide.
What is the SMILES notation for 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide?
The canonical SMILES for 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide is CCC(Br)C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide?
The InChIKey is AILITRCJVKWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-4-9(12)10(14)13-8-5-6-11(2,3)7-8/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide?
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide has a molecular weight of 262.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-dimethylcyclopentyl)butanamide is sourced from PubChem (CID 114544484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).