2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

C12H18N2O3 — CID 102739297

IUPAC2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H18N2O3/c1-12(2,5-6-15)14-11(17)9-7-8(16)3-4-10(9)13/h3-4,7,15-16H,5-6,13H2,1-2H3,(H,14,17)
InChIKeyOUOPDDCQNFTRKW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 102739297) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID102739297
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H18N2O3/c1-12(2,5-6-15)14-11(17)9-7-8(16)3-4-10(9)13/h3-4,7,15-16H,5-6,13H2,1-2H3,(H,14,17)
InChIKeyOUOPDDCQNFTRKW-UHFFFAOYSA-N
XLogP0.87
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
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

2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
CID 177151717
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849
2-bromo-5-chloro-3-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 119052227
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 102739297) is 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is OUOPDDCQNFTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,5-6-15)14-11(17)9-7-8(16)3-4-10(9)13/h3-4,7,15-16H,5-6,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.87, 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-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 102739297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).