N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide

C11H20BrNO — CID 114315961

IUPACN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H20BrNO/c1-11(2,3)6-10(14)13-7-9(12)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyDYZZILCNYKFWEQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.71
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide

N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide (PubChem CID 114315961) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
PubChem CID114315961
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H20BrNO/c1-11(2,3)6-10(14)13-7-9(12)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyDYZZILCNYKFWEQ-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
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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Related Compounds

N-(2-bromo-2-cyclopropylethyl)dodecanamide
CID 114315926
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
N-(2-bromo-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114315724
N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
CID 106288532
methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399
N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide
CID 114315794
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(2-bromo-2-cyclopropylethyl)-2-methylsulfonylpropanamide
CID 104522432
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide (CID 114315961) is N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide?
The InChIKey is DYZZILCNYKFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-11(2,3)6-10(14)13-7-9(12)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide?
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 114315961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).