2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide

C10H20BrNO2 — CID 65047437

IUPAC2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(COC)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-5-8(11)10(13)12-9(6-14-4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyHCOSILSGUDEYTC-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.95
Rot. Bonds6

About 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide

2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide (PubChem CID 65047437) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
PubChem CID65047437
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(COC)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-5-8(11)10(13)12-9(6-14-4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyHCOSILSGUDEYTC-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)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

2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-(1-ethoxy-3-methylbutan-2-yl)-2-methoxypropanamide
CID 103274835
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
CID 65049236
2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 81101222
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide?
The IUPAC name of 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide (CID 65047437) is 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide is CCC(Br)C(=O)NC(COC)C(C)C.
What is the InChIKey of 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide?
The InChIKey is HCOSILSGUDEYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-5-8(11)10(13)12-9(6-14-4)7(2)3/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide?
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide has a molecular weight of 266.18 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 65047437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).