4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H20N2O3 — CID 106164060

IUPAC4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-13(2,6-7-16)15-12(18)9-4-5-10(14)11(17)8-9/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H,15,18)
InChIKeyLCLFOLDLXOYEDT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds5

About 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 106164060) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID106164060
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-13(2,6-7-16)15-12(18)9-4-5-10(14)11(17)8-9/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H,15,18)
InChIKeyLCLFOLDLXOYEDT-UHFFFAOYSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
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

3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103946095
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844
N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106166733

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 106164060) is 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is LCLFOLDLXOYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-13(2,6-7-16)15-12(18)9-4-5-10(14)11(17)8-9/h4-5,8,16-17H,3,6-7,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 106164060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).