2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide

C13H26BrNO — CID 102904758

IUPAC2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(Br)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H26BrNO/c1-8(2)11(9(3)4)7-15-13(16)12(14)10(5)6/h8-12H,7H2,1-6H3,(H,15,16)
InChIKeyWVULPWNFCRSQOR-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.45
Rot. Bonds6

About 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide

2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide (PubChem CID 102904758) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
PubChem CID102904758
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(Br)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H26BrNO/c1-8(2)11(9(3)4)7-15-13(16)12(14)10(5)6/h8-12H,7H2,1-6H3,(H,15,16)
InChIKeyWVULPWNFCRSQOR-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 79548398
2-bromo-N-(cyanomethyl)-3-methylbutanamide
CID 61207319
2-bromo-N-(2-ethylsulfanylethyl)-3-methylbutanamide
CID 82110735
2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102906212
2-bromo-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79563378
2-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 103430628
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide (CID 102904758) is 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide is CC(C)C(Br)C(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The InChIKey is WVULPWNFCRSQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-8(2)11(9(3)4)7-15-13(16)12(14)10(5)6/h8-12H,7H2,1-6H3,(H,15,16).
What are the key properties of 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide has a molecular weight of 292.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide is sourced from PubChem (CID 102904758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).