2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide

C11H21BrN2O — CID 114328963

IUPAC2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(C)Br)N1CCCC1
InChIInChI=1S/C11H21BrN2O/c1-9(14-6-4-5-7-14)8-13-10(15)11(2,3)12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeySIYVZYMKPKRASM-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.76
Rot. Bonds4

About 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide

2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 114328963) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID114328963
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(C)Br)N1CCCC1
InChIInChI=1S/C11H21BrN2O/c1-9(14-6-4-5-7-14)8-13-10(15)11(2,3)12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeySIYVZYMKPKRASM-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
2-cyano-2-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 113270427
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
2-pyrrolidin-1-ylpropylurea
CID 112728366
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
2-methyl-2,3-diphenyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301638
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
2-methyl-2-piperidin-3-yl-N-(2-piperidin-1-ylpropyl)propanamide
CID 83198343
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide (CID 114328963) is 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)C(C)(C)Br)N1CCCC1.
What is the InChIKey of 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is SIYVZYMKPKRASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-9(14-6-4-5-7-14)8-13-10(15)11(2,3)12/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide?
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 277.21 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 114328963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).