2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide

C11H16N4O3 — CID 106240860

IUPAC2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
SMILESNC(=O)COCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C11H16N4O3/c12-9-2-1-7(5-8(9)11(14)17)15-3-4-18-6-10(13)16/h1-2,5,15H,3-4,6,12H2,(H2,13,16)(H2,14,17)
InChIKeyFYCNFZDTFFYPNQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.72
Rot. Bonds7

About 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide

2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide (PubChem CID 106240860) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
PubChem CID106240860
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
SMILESNC(=O)COCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C11H16N4O3/c12-9-2-1-7(5-8(9)11(14)17)15-3-4-18-6-10(13)16/h1-2,5,15H,3-4,6,12H2,(H2,13,16)(H2,14,17)
InChIKeyFYCNFZDTFFYPNQ-UHFFFAOYSA-N
XLogP-0.72
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide 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-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
CID 114098605
2-[2-(4-carbamothioyl-3-chloroanilino)ethoxy]acetamide
CID 106237332
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
2-[2-[(5,6-diamino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234451
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
methyl 2-amino-5-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoate
CID 63832853
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
2-[2-[(5-amino-6-methoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234342
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide?
The IUPAC name of 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide (CID 106240860) is 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide.
What is the SMILES notation for 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide?
The canonical SMILES for 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide is NC(=O)COCCNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide?
The InChIKey is FYCNFZDTFFYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-9-2-1-7(5-8(9)11(14)17)15-3-4-18-6-10(13)16/h1-2,5,15H,3-4,6,12H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide?
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide has a molecular weight of 252.27 g/mol, XLogP of -0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide is sourced from PubChem (CID 106240860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).