N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide

C11H22BrNO — CID 106355055

IUPACN-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CCBr)C(C)C
InChIInChI=1S/C11H22BrNO/c1-5-9(4)11(14)13-10(6-7-12)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyMBNWRCXGMQMLAQ-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.96
Rot. Bonds6

About N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide

N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide (PubChem CID 106355055) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide
PubChem CID106355055
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CCBr)C(C)C
InChIInChI=1S/C11H22BrNO/c1-5-9(4)11(14)13-10(6-7-12)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyMBNWRCXGMQMLAQ-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'}

Analyze N-(1-bromo-4-methylpentan-3-yl)-2-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

N-butan-2-yl-3-methylbutanamide
CID 234387
n-(4-Methylpentan-2-yl)acetamide
CID 291448
2-bromo-N-cyclohexyl-3-methylbutanamide
CID 15437231
2-bromo-N-cyclopentyl-3-methylbutanamide
CID 24691712
2-bromo-N-(butan-2-yl)-3-methylbutanamide
CID 24692066
2-bromo-N-cycloheptyl-3-methylbutanamide
CID 43244716
(2S)-2-acetamido-N-(3-bromopropyl)-3-methylbutanamide
CID 165430637
3-methyl-N,2-di(propan-2-yl)butanamide
CID 348293
Butanamide, N-isopropyl-3-methyl
CID 528608
(2R)-2-acetamido-N-(3-bromopropyl)-3-methylbutanamide
CID 165618992
Brompropionyl-leucinamid
CID 129640332
N-(1-bromo-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311035

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide (CID 106355055) is N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide is CCC(C)C(=O)NC(CCBr)C(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide?
The InChIKey is MBNWRCXGMQMLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-5-9(4)11(14)13-10(6-7-12)8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide?
N-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide 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-(1-bromo-4-methylpentan-3-yl)-2-methylbutanamide is sourced from PubChem (CID 106355055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).