3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide

C14H20INO3 — CID 104630338

IUPAC3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H20INO3/c1-14(2,3)12(6-7-17)16-13(19)9-4-5-10(15)11(18)8-9/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19)
InChIKeyIZLDHSXGNUBWKJ-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.52
Rot. Bonds4

About 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide

3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide (PubChem CID 104630338) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
PubChem CID104630338
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC Name3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H20INO3/c1-14(2,3)12(6-7-17)16-13(19)9-4-5-10(15)11(18)8-9/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19)
InChIKeyIZLDHSXGNUBWKJ-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylsulfonylbenzamide
CID 103940884
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-hydroxy-4-methoxybenzamide
CID 106355864
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide (CID 104630338) is 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide is CC(C)(C)C(CCO)NC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide?
The InChIKey is IZLDHSXGNUBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c1-14(2,3)12(6-7-17)16-13(19)9-4-5-10(15)11(18)8-9/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide?
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide has a molecular weight of 377.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide is sourced from PubChem (CID 104630338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).