2-(2-acetamidoethylamino)-5-aminobenzamide

C11H16N4O2 — CID 61306770

IUPAC2-(2-acetamidoethylamino)-5-aminobenzamide
SMILESCC(=O)NCCNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-3-2-8(12)6-9(10)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDYGUELLEMDKUFL-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.08
Rot. Bonds5

About 2-(2-acetamidoethylamino)-5-aminobenzamide

2-(2-acetamidoethylamino)-5-aminobenzamide (PubChem CID 61306770) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(2-acetamidoethylamino)-5-aminobenzamide.

Molecular Properties

Compound Name2-(2-acetamidoethylamino)-5-aminobenzamide
PubChem CID61306770
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(2-acetamidoethylamino)-5-aminobenzamide
SMILESCC(=O)NCCNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-3-2-8(12)6-9(10)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDYGUELLEMDKUFL-UHFFFAOYSA-N
XLogP-0.08
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-acetamidoethylamino)-5-aminobenzamide 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

5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63330742
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
methyl 5-amino-2-[2-(dimethylcarbamoylamino)ethylamino]benzoate
CID 83115661

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethylamino)-5-aminobenzamide?
The IUPAC name of 2-(2-acetamidoethylamino)-5-aminobenzamide (CID 61306770) is 2-(2-acetamidoethylamino)-5-aminobenzamide.
What is the SMILES notation for 2-(2-acetamidoethylamino)-5-aminobenzamide?
The canonical SMILES for 2-(2-acetamidoethylamino)-5-aminobenzamide is CC(=O)NCCNc1ccc(N)cc1C(N)=O.
What is the InChIKey of 2-(2-acetamidoethylamino)-5-aminobenzamide?
The InChIKey is DYGUELLEMDKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-3-2-8(12)6-9(10)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 2-(2-acetamidoethylamino)-5-aminobenzamide?
2-(2-acetamidoethylamino)-5-aminobenzamide has a molecular weight of 236.28 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethylamino)-5-aminobenzamide is sourced from PubChem (CID 61306770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).