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

C11H16N2O3 — CID 107076071

IUPAC2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
SMILESCCC(O)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H16N2O3/c1-2-7(14)6-13-11(16)9-5-8(15)3-4-10(9)12/h3-5,7,14-15H,2,6,12H2,1H3,(H,13,16)
InChIKeyBDKBOWNSDGTHLY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.48
Rot. Bonds4

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

2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide (PubChem CID 107076071) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
PubChem CID107076071
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
SMILESCCC(O)CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H16N2O3/c1-2-7(14)6-13-11(16)9-5-8(15)3-4-10(9)12/h3-5,7,14-15H,2,6,12H2,1H3,(H,13,16)
InChIKeyBDKBOWNSDGTHLY-UHFFFAOYSA-N
XLogP0.48
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
CID 115738184
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide (CID 107076071) is 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide is CCC(O)CNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide?
The InChIKey is BDKBOWNSDGTHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-7(14)6-13-11(16)9-5-8(15)3-4-10(9)12/h3-5,7,14-15H,2,6,12H2,1H3,(H,13,16).
What are the key properties of 2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide?
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of 0.48, 4 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-(2-hydroxybutyl)benzamide is sourced from PubChem (CID 107076071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).