2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide

C12H20BrNO — CID 114328830

IUPAC2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C12H20BrNO/c1-12(2,13)11(15)14-7-10(8-3-4-8)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyUTKNBGICUWXPQS-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.71
Rot. Bonds5

About 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide

2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide (PubChem CID 114328830) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide
PubChem CID114328830
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C12H20BrNO/c1-12(2,13)11(15)14-7-10(8-3-4-8)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyUTKNBGICUWXPQS-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide (CID 114328830) is 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide is CC(C)(Br)C(=O)NCC(C1CC1)C1CC1.
What is the InChIKey of 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide?
The InChIKey is UTKNBGICUWXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-12(2,13)11(15)14-7-10(8-3-4-8)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide?
2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide has a molecular weight of 274.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dicyclopropylethyl)-2-methylpropanamide is sourced from PubChem (CID 114328830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).