3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide

C9H12N4O2 — CID 43448331

IUPAC3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
SMILESNC(=O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H12N4O2/c10-6-3-5(9(12)15)1-2-7(6)13-4-8(11)14/h1-3,13H,4,10H2,(H2,11,14)(H2,12,15)
InChIKeyUDSCMWYJSQFHRU-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.74
Rot. Bonds4

About 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide

3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide (PubChem CID 43448331) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
PubChem CID43448331
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
SMILESNC(=O)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C9H12N4O2/c10-6-3-5(9(12)15)1-2-7(6)13-4-8(11)14/h1-3,13H,4,10H2,(H2,11,14)(H2,12,15)
InChIKeyUDSCMWYJSQFHRU-UHFFFAOYSA-N
XLogP-0.74
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
2-(2-amino-4-methylanilino)acetamide
CID 43349420
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
3-amino-4-(2,3-dihydroxypropylamino)benzamide
CID 66176345
3-amino-4-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115599
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526
3-amino-4-[[4-(2-amino-3-bromoanilino)-2,3-dimethylbut-2-enyl]amino]benzamide
CID 138523815
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide?
The IUPAC name of 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide (CID 43448331) is 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide is NC(=O)CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide?
The InChIKey is UDSCMWYJSQFHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-6-3-5(9(12)15)1-2-7(6)13-4-8(11)14/h1-3,13H,4,10H2,(H2,11,14)(H2,12,15).
What are the key properties of 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide?
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide has a molecular weight of 208.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide is sourced from PubChem (CID 43448331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).