2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

C12H17BrN4O2 — CID 55157785

IUPAC2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1ccccc1Br)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17BrN4O2/c13-9-4-2-1-3-8(9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyTXBNSTIMDBYZEY-UHFFFAOYSA-N
MW329.20 g/mol
LogP-0.28
Rot. Bonds7

About 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 55157785) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID55157785
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCC(c1ccccc1Br)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17BrN4O2/c13-9-4-2-1-3-8(9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyTXBNSTIMDBYZEY-UHFFFAOYSA-N
XLogP-0.28
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)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

2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55022594
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
2-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 55155295
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol
CID 55023077

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 55157785) is 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is NCC(c1ccccc1Br)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is TXBNSTIMDBYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c13-9-4-2-1-3-8(9)10(5-14)17(6-11(15)18)7-12(16)19/h1-4,10H,5-7,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 329.20 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 55157785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).