3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C14H20BrNO3 — CID 79381735

IUPAC3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,8-10H2,1-3H3
InChIKeyZSBOMFRSSCNSPU-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.45
Rot. Bonds6

About 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 79381735) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID79381735
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,8-10H2,1-3H3
InChIKeyZSBOMFRSSCNSPU-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-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

3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 79381735) is 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CN(CC(C)(C)O)C(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is ZSBOMFRSSCNSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)8-9-19-12-6-4-11(15)5-7-12/h4-7,18H,8-10H2,1-3H3.
What are the key properties of 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 79381735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).