N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide

C13H16BrN3O3 — CID 108531302

IUPACN'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H16BrN3O3/c1-8-7-10(14)3-4-11(8)16-12(19)13(20)17(6-5-15)9(2)18/h3-4,7H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyCOZAOEBCOXFQST-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.03
Rot. Bonds3

About N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide

N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide (PubChem CID 108531302) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide
PubChem CID108531302
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC NameN'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H16BrN3O3/c1-8-7-10(14)3-4-11(8)16-12(19)13(20)17(6-5-15)9(2)18/h3-4,7H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyCOZAOEBCOXFQST-UHFFFAOYSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide 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

N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515609
N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500601
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108516290
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide (CID 108531302) is N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide is CC(=O)N(CCN)C(=O)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide?
The InChIKey is COZAOEBCOXFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-8-7-10(14)3-4-11(8)16-12(19)13(20)17(6-5-15)9(2)18/h3-4,7H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide?
N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide has a molecular weight of 342.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide is sourced from PubChem (CID 108531302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).