2-bromo-N-(3-methylpentan-3-yl)butanamide

C10H20BrNO — CID 106328360

IUPAC2-bromo-N-(3-methylpentan-3-yl)butanamide
SMILESCCC(Br)C(=O)NC(C)(CC)CC
InChIInChI=1S/C10H20BrNO/c1-5-8(11)9(13)12-10(4,6-2)7-3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyZSMNTFVYFCCUMZ-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.85
Rot. Bonds5

About 2-bromo-N-(3-methylpentan-3-yl)butanamide

2-bromo-N-(3-methylpentan-3-yl)butanamide (PubChem CID 106328360) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N-(3-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylpentan-3-yl)butanamide
PubChem CID106328360
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N-(3-methylpentan-3-yl)butanamide
SMILESCCC(Br)C(=O)NC(C)(CC)CC
InChIInChI=1S/C10H20BrNO/c1-5-8(11)9(13)12-10(4,6-2)7-3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyZSMNTFVYFCCUMZ-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
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

N-(5-bromo-2-methylpentan-2-yl)acetamide
CID 176435293
N-(1-bromo-3-methylpentan-3-yl)-4,4,4-trifluorobutanamide
CID 106169663
N-[3-(bromomethyl)pentan-3-yl]-4,4,4-trifluorobutanamide
CID 114315279
2-bromo-N-tert-butyl-3,3-dimethylbutanamide
CID 2795136
2-Bromo-N-(tert-butyl)butanamide
CID 16481147
2-bromo-N-(4-methylpent-2-yn-4-yl)butyramide
CID 21078406
2-bromo-N-(5-methylhex-3-yn-5-yl)butyramide
CID 21078407
2-bromo-N-(2-methylhept-3-yn-2-yl)butanamide
CID 21078408
2,3-Dibromo-N-(2-methylbutan-2-yl)propanamide
CID 54025435
2-bromo-N-(3-methylpentan-3-yl)acetamide
CID 106328352
2-bromo-N-tert-butyl-1-methylcyclopropane-1-carboxamide
CID 135387110
4-bromo-N-tert-butylbutanamide
CID 141342782

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylpentan-3-yl)butanamide?
The IUPAC name of 2-bromo-N-(3-methylpentan-3-yl)butanamide (CID 106328360) is 2-bromo-N-(3-methylpentan-3-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(3-methylpentan-3-yl)butanamide?
The canonical SMILES for 2-bromo-N-(3-methylpentan-3-yl)butanamide is CCC(Br)C(=O)NC(C)(CC)CC.
What is the InChIKey of 2-bromo-N-(3-methylpentan-3-yl)butanamide?
The InChIKey is ZSMNTFVYFCCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-5-8(11)9(13)12-10(4,6-2)7-3/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-bromo-N-(3-methylpentan-3-yl)butanamide?
2-bromo-N-(3-methylpentan-3-yl)butanamide has a molecular weight of 250.18 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylpentan-3-yl)butanamide is sourced from PubChem (CID 106328360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).