5-(2-acetamidoethylamino)-2-aminobenzamide

C11H16N4O2 — CID 61306771

IUPAC5-(2-acetamidoethylamino)-2-aminobenzamide
SMILESCC(=O)NCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-8-2-3-10(12)9(6-8)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDBYMLYCTUMKMIU-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.08
Rot. Bonds5

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

5-(2-acetamidoethylamino)-2-aminobenzamide (PubChem CID 61306771) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(2-acetamidoethylamino)-2-aminobenzamide.

Molecular Properties

Compound Name5-(2-acetamidoethylamino)-2-aminobenzamide
PubChem CID61306771
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name5-(2-acetamidoethylamino)-2-aminobenzamide
SMILESCC(=O)NCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-8-2-3-10(12)9(6-8)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDBYMLYCTUMKMIU-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'}

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Related Compounds

methyl 5-(2-acetamidoethylamino)-2-aminobenzoate
CID 61306597
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
3-[2-(3-acetyl-4-aminoanilino)ethyl]-1,1-dimethylurea
CID 104613081
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
CID 106240860
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
CID 114098605
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
CID 115357122
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
2-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106422586

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoethylamino)-2-aminobenzamide?
The IUPAC name of 5-(2-acetamidoethylamino)-2-aminobenzamide (CID 61306771) is 5-(2-acetamidoethylamino)-2-aminobenzamide.
What is the SMILES notation for 5-(2-acetamidoethylamino)-2-aminobenzamide?
The canonical SMILES for 5-(2-acetamidoethylamino)-2-aminobenzamide is CC(=O)NCCNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 5-(2-acetamidoethylamino)-2-aminobenzamide?
The InChIKey is DBYMLYCTUMKMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-8-2-3-10(12)9(6-8)11(13)17/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 5-(2-acetamidoethylamino)-2-aminobenzamide?
5-(2-acetamidoethylamino)-2-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 5-(2-acetamidoethylamino)-2-aminobenzamide is sourced from PubChem (CID 61306771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).