3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H15NO4 — CID 103944768

IUPAC3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO4/c1-11(2,6-13)12-10(16)7-3-8(14)5-9(15)4-7/h3-5,13-15H,6H2,1-2H3,(H,12,16)
InChIKeyORAMYZMFYJJQRK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.60
Rot. Bonds3

About 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 103944768) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID103944768
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO4/c1-11(2,6-13)12-10(16)7-3-8(14)5-9(15)4-7/h3-5,13-15H,6H2,1-2H3,(H,12,16)
InChIKeyORAMYZMFYJJQRK-UHFFFAOYSA-N
XLogP0.60
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid
CID 107702490
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 103944768) is 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is ORAMYZMFYJJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,6-13)12-10(16)7-3-8(14)5-9(15)4-7/h3-5,13-15H,6H2,1-2H3,(H,12,16).
What are the key properties of 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 225.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 103944768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).