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

Nbd-557
CID 5279270
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 2769705
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetamide
CID 1119287
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530900
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 2857771
7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 122635767
Acetamide, N,N-dimethyl-2-(o-toluidino)-
CID 59815
N-(5-bromo-1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 665257

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).