2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide

C14H20BrNO3 — CID 100691237

IUPAC2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
SMILESCCOCCOc1ccc(NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-18-9-10-19-12-7-5-11(6-8-12)16-13(17)14(2,3)15/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyIRTFBESSSLLRLZ-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.21
Rot. Bonds7

About 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide

2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide (PubChem CID 100691237) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
PubChem CID100691237
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
SMILESCCOCCOc1ccc(NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-18-9-10-19-12-7-5-11(6-8-12)16-13(17)14(2,3)15/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyIRTFBESSSLLRLZ-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide 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-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
N-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2,2-dimethylpropanamide
CID 58408889
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide (CID 100691237) is 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide is CCOCCOc1ccc(NC(=O)C(C)(C)Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide?
The InChIKey is IRTFBESSSLLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-18-9-10-19-12-7-5-11(6-8-12)16-13(17)14(2,3)15/h5-8H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide?
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 100691237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).