2-bromo-N-(2-methoxyethyl)-N-methylbutanamide

C8H16BrNO2 — CID 62854357

IUPAC2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)CCOC
InChIInChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10(2)5-6-12-3/h7H,4-6H2,1-3H3
InChIKeyKINRGXDSLZCAJL-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.26
Rot. Bonds5

About 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide

2-bromo-N-(2-methoxyethyl)-N-methylbutanamide (PubChem CID 62854357) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
PubChem CID62854357
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
SMILESCCC(Br)C(=O)N(C)CCOC
InChIInChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10(2)5-6-12-3/h7H,4-6H2,1-3H3
InChIKeyKINRGXDSLZCAJL-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-methoxyethyl)-N-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

2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide (CID 62854357) is 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide is CCC(Br)C(=O)N(C)CCOC.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide?
The InChIKey is KINRGXDSLZCAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-4-7(9)8(11)10(2)5-6-12-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide?
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide has a molecular weight of 238.12 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-methylbutanamide is sourced from PubChem (CID 62854357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).