2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide

C13H26BrNO — CID 60948518

IUPAC2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
SMILESCCCCN(C(=O)C(Br)C(C)C)C(C)CC
InChIInChI=1S/C13H26BrNO/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9H2,1-5H3
InChIKeyQXDBSEXUGKPBOS-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.83
Rot. Bonds7

About 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide

2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide (PubChem CID 60948518) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
PubChem CID60948518
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
SMILESCCCCN(C(=O)C(Br)C(C)C)C(C)CC
InChIInChI=1S/C13H26BrNO/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9H2,1-5H3
InChIKeyQXDBSEXUGKPBOS-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide 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-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
N-butan-2-yl-2-methyl-N-propylpropanamide
CID 153425252
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76923560
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide?
The IUPAC name of 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide (CID 60948518) is 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide is CCCCN(C(=O)C(Br)C(C)C)C(C)CC.
What is the InChIKey of 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide?
The InChIKey is QXDBSEXUGKPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-6-8-9-15(11(5)7-2)13(16)12(14)10(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide?
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide is sourced from PubChem (CID 60948518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).