2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide

C11H16N2O3 — CID 102739502

IUPAC2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCCO
InChIInChI=1S/C11H16N2O3/c12-10-4-3-8(15)7-9(10)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6,12H2,(H,13,16)
InChIKeyPBYNKSAEZLEJLZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.48
Rot. Bonds5

About 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide

2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide (PubChem CID 102739502) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
PubChem CID102739502
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCCO
InChIInChI=1S/C11H16N2O3/c12-10-4-3-8(15)7-9(10)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6,12H2,(H,13,16)
InChIKeyPBYNKSAEZLEJLZ-UHFFFAOYSA-N
XLogP0.48
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.48
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-hydroxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 106308498
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
CID 167772657
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide (CID 102739502) is 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide is Nc1ccc(O)cc1C(=O)NCCCCO.
What is the InChIKey of 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide?
The InChIKey is PBYNKSAEZLEJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-10-4-3-8(15)7-9(10)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6,12H2,(H,13,16).
What are the key properties of 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide?
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 102739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).