2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide

C11H15N3O3 — CID 102739283

IUPAC2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
SMILESCC(CC(N)=O)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H15N3O3/c1-6(4-10(13)16)14-11(17)8-5-7(15)2-3-9(8)12/h2-3,5-6,15H,4,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGSFNNKORSYWCGN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.03
Rot. Bonds4

About 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide

2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide (PubChem CID 102739283) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
PubChem CID102739283
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
SMILESCC(CC(N)=O)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H15N3O3/c1-6(4-10(13)16)14-11(17)8-5-7(15)2-3-9(8)12/h2-3,5-6,15H,4,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGSFNNKORSYWCGN-UHFFFAOYSA-N
XLogP-0.03
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
CID 102739361
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide (CID 102739283) is 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide is CC(CC(N)=O)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide?
The InChIKey is GSFNNKORSYWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(4-10(13)16)14-11(17)8-5-7(15)2-3-9(8)12/h2-3,5-6,15H,4,12H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide?
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide has a molecular weight of 237.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide is sourced from PubChem (CID 102739283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).