2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide

C14H21BrN2O2 — CID 54942583

IUPAC2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCOc1ccc(Br)cc1)CC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-11(2)9-17(10-14(16)18)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,16,18)
InChIKeyDCVLBEQJFAQRFP-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.27
Rot. Bonds8

About 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide

2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide (PubChem CID 54942583) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
PubChem CID54942583
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCOc1ccc(Br)cc1)CC(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-11(2)9-17(10-14(16)18)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,16,18)
InChIKeyDCVLBEQJFAQRFP-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide 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-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
CID 61377522
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
CID 115409803
4-(4-bromophenoxy)butan-2-ol
CID 112686550
[(2S)-1-amino-1-oxopropan-2-yl]-[2-(4-bromophenoxy)ethyl]-methylazanium
CID 8842341
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
CID 120563461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide (CID 54942583) is 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CCOc1ccc(Br)cc1)CC(N)=O.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide?
The InChIKey is DCVLBEQJFAQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-11(2)9-17(10-14(16)18)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide?
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 54942583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).