2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide

C19H30BrN3O4 — CID 75402075

IUPAC2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(CN2CCN(CCO)CC2)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C19H30BrN3O4/c1-4-26-17-12-15(13-23-7-5-22(6-8-23)9-10-24)11-16(20)19(17)27-14-18(25)21(2)3/h11-12,24H,4-10,13-14H2,1-3H3
InChIKeyFAJUNOMLXLAZEZ-UHFFFAOYSA-N
MW444.37 g/mol
LogP1.42
Rot. Bonds9

About 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide

2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 75402075) has the molecular formula C19H30BrN3O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID75402075
Molecular FormulaC19H30BrN3O4
Molecular Weight444.37 g/mol
Exact Mass443.14
IUPAC Name2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(CN2CCN(CCO)CC2)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C19H30BrN3O4/c1-4-26-17-12-15(13-23-7-5-22(6-8-23)9-10-24)11-16(20)19(17)27-14-18(25)21(2)3/h11-12,24H,4-10,13-14H2,1-3H3
InChIKeyFAJUNOMLXLAZEZ-UHFFFAOYSA-N
XLogP1.42
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide 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-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
1-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 122046862
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
2-[2-bromo-6-ethoxy-4-[(Z)-(2-morpholin-4-ylethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 6038027
2-[4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 30627665
3-bromo-5-ethoxy-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43627087
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55762616
(4-benzylpiperazin-1-yl)-(3-bromo-4,5-diethoxyphenyl)methanethione
CID 3913014
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide (CID 75402075) is 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide is CCOc1cc(CN2CCN(CCO)CC2)cc(Br)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is FAJUNOMLXLAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O4/c1-4-26-17-12-15(13-23-7-5-22(6-8-23)9-10-24)11-16(20)19(17)27-14-18(25)21(2)3/h11-12,24H,4-10,13-14H2,1-3H3.
What are the key properties of 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 444.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 75402075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).