N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide

C11H22BrNO — CID 115365004

IUPACN-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CBr
InChIInChI=1S/C11H22BrNO/c1-5-9(6-2)10(14)13-8-11(3,4)7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNFFWOQVHYXCIGW-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.96
Rot. Bonds6

About N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide

N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide (PubChem CID 115365004) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
PubChem CID115365004
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)CBr
InChIInChI=1S/C11H22BrNO/c1-5-9(6-2)10(14)13-8-11(3,4)7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNFFWOQVHYXCIGW-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.96
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-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
2-ethylbutanoic acid;2-ethyl-N-[(2-ethylbutanoylamino)methyl]butanamide
CID 157432754
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
N-(3-bromo-2,2-dimethylpropyl)-3,5-dimethylbenzamide
CID 115364940

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide (CID 115365004) is N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide is CCC(CC)C(=O)NCC(C)(C)CBr.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide?
The InChIKey is NFFWOQVHYXCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-5-9(6-2)10(14)13-8-11(3,4)7-12/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide?
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide has a molecular weight of 264.21 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide is sourced from PubChem (CID 115365004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).