2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide

C11H22BrNO3 — CID 79548398

IUPAC2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide
SMILESCCOC(CNC(=O)C(Br)C(C)C)OCC
InChIInChI=1S/C11H22BrNO3/c1-5-15-9(16-6-2)7-13-11(14)10(12)8(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyVSSKPFICVPRBBJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.92
Rot. Bonds8

About 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide

2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide (PubChem CID 79548398) has the molecular formula C11H22BrNO3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide
PubChem CID79548398
Molecular FormulaC11H22BrNO3
Molecular Weight296.21 g/mol
Exact Mass295.08
IUPAC Name2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide
SMILESCCOC(CNC(=O)C(Br)C(C)C)OCC
InChIInChI=1S/C11H22BrNO3/c1-5-15-9(16-6-2)7-13-11(14)10(12)8(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyVSSKPFICVPRBBJ-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2,2-diethoxyethyl)-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

N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904758
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-bromo-N-(cyanomethyl)-3-methylbutanamide
CID 61207319
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
2-amino-N-(2,2-diethoxyethyl)-2-methylpropanamide
CID 79548402
2-bromo-N-(2-ethylsulfanylethyl)-3-methylbutanamide
CID 82110735
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide (CID 79548398) is 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide is CCOC(CNC(=O)C(Br)C(C)C)OCC.
What is the InChIKey of 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The InChIKey is VSSKPFICVPRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3/c1-5-15-9(16-6-2)7-13-11(14)10(12)8(3)4/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide?
2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide has a molecular weight of 296.21 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-diethoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 79548398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).