N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide

C13H26BrNO — CID 107156617

IUPACN-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(Br)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)6/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyPCCUBQVFPCDRGK-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds4

About N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide

N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide (PubChem CID 107156617) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
PubChem CID107156617
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(Br)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)6/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyPCCUBQVFPCDRGK-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
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

methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399
N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
CID 106288532
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
CID 107156655
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
CID 114315961
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403
N-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
CID 107156584
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide (CID 107156617) is N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(Br)CC(C)(C)C.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide?
The InChIKey is PCCUBQVFPCDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-12(2,3)7-10(14)9-15-11(16)8-13(4,5)6/h10H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide?
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 107156617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).