N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide

C13H18INO3 — CID 103712714

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C13H18INO3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyBNHZTJWRSKDWOV-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.81
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide (PubChem CID 103712714) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
PubChem CID103712714
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C13H18INO3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyBNHZTJWRSKDWOV-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210
2-(cyanomethylsulfanyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712529
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide (CID 103712714) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide is COCCC(C)(O)CNC(=O)c1ccccc1I.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide?
The InChIKey is BNHZTJWRSKDWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide has a molecular weight of 363.20 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide is sourced from PubChem (CID 103712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).