3-(2-acetamidoethylamino)-4-aminobenzamide

C11H16N4O2 — CID 63356051

IUPAC3-(2-acetamidoethylamino)-4-aminobenzamide
SMILESCC(=O)NCCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-6-8(11(13)17)2-3-9(10)12/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDTRHRBQJBKBDNT-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.08
Rot. Bonds5

About 3-(2-acetamidoethylamino)-4-aminobenzamide

3-(2-acetamidoethylamino)-4-aminobenzamide (PubChem CID 63356051) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(2-acetamidoethylamino)-4-aminobenzamide.

Molecular Properties

Compound Name3-(2-acetamidoethylamino)-4-aminobenzamide
PubChem CID63356051
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-(2-acetamidoethylamino)-4-aminobenzamide
SMILESCC(=O)NCCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-6-8(11(13)17)2-3-9(10)12/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16)
InChIKeyDTRHRBQJBKBDNT-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

4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-(6-methylsulfanylhexylamino)benzamide
CID 114124771
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
CID 106243281
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
4-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63356921
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethylamino)-4-aminobenzamide?
The IUPAC name of 3-(2-acetamidoethylamino)-4-aminobenzamide (CID 63356051) is 3-(2-acetamidoethylamino)-4-aminobenzamide.
What is the SMILES notation for 3-(2-acetamidoethylamino)-4-aminobenzamide?
The canonical SMILES for 3-(2-acetamidoethylamino)-4-aminobenzamide is CC(=O)NCCNc1cc(C(N)=O)ccc1N.
What is the InChIKey of 3-(2-acetamidoethylamino)-4-aminobenzamide?
The InChIKey is DTRHRBQJBKBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(16)14-4-5-15-10-6-8(11(13)17)2-3-9(10)12/h2-3,6,15H,4-5,12H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 3-(2-acetamidoethylamino)-4-aminobenzamide?
3-(2-acetamidoethylamino)-4-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 3-(2-acetamidoethylamino)-4-aminobenzamide is sourced from PubChem (CID 63356051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).