4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide

C12H17N3O3 — CID 106095382

IUPAC4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H17N3O3/c1-12(2,6-10(14)17)15-11(18)7-3-4-8(13)9(16)5-7/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyIYJPPYVKBHLEIQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.36
Rot. Bonds4

About 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide (PubChem CID 106095382) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
PubChem CID106095382
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H17N3O3/c1-12(2,6-10(14)17)15-11(18)7-3-4-8(13)9(16)5-7/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyIYJPPYVKBHLEIQ-UHFFFAOYSA-N
XLogP0.36
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106098142
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(3-aminoprop-1-ynyl)-3-methylbenzamide
CID 106098220
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 106098173
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 106098402

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide (CID 106095382) is 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide is CC(C)(CC(N)=O)NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide?
The InChIKey is IYJPPYVKBHLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,6-10(14)17)15-11(18)7-3-4-8(13)9(16)5-7/h3-5,16H,6,13H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide?
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide is sourced from PubChem (CID 106095382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).