2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

C12H23BrN2O — CID 114328650

IUPAC2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(C)Br)CN1CCCC1
InChIInChI=1S/C12H23BrN2O/c1-10(9-15-6-4-5-7-15)8-14-11(16)12(2,3)13/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyDMOSTEAPINILAE-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.01
Rot. Bonds5

About 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide

2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 114328650) has the molecular formula C12H23BrN2O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID114328650
Molecular FormulaC12H23BrN2O
Molecular Weight291.23 g/mol
Exact Mass290.10
IUPAC Name2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(C)Br)CN1CCCC1
InChIInChI=1S/C12H23BrN2O/c1-10(9-15-6-4-5-7-15)8-14-11(16)12(2,3)13/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyDMOSTEAPINILAE-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.01
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-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
CID 119859839
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
2-amino-2-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide
CID 54906617
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide (CID 114328650) is 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide is CC(CNC(=O)C(C)(C)Br)CN1CCCC1.
What is the InChIKey of 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is DMOSTEAPINILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O/c1-10(9-15-6-4-5-7-15)8-14-11(16)12(2,3)13/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide?
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 291.23 g/mol, XLogP of 2.01, 5 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-methyl-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 114328650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).