N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide

C13H18INO2 — CID 100622638

IUPACN-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
SMILESC[C@H](CCO)CNC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-10(6-7-16)9-15-13(17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyKPKRYPFESDCUOD-SNVBAGLBSA-N
MW347.20 g/mol
LogP1.97
Rot. Bonds6

About N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide

N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide (PubChem CID 100622638) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
PubChem CID100622638
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
SMILESC[C@H](CCO)CNC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C13H18INO2/c1-10(6-7-16)9-15-13(17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyKPKRYPFESDCUOD-SNVBAGLBSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114306229
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
CID 114302763
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide?
The IUPAC name of N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide (CID 100622638) is N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide is C[C@H](CCO)CNC(=O)Cc1ccc(I)cc1.
What is the InChIKey of N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide?
The InChIKey is KPKRYPFESDCUOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18INO2/c1-10(6-7-16)9-15-13(17)8-11-2-4-12(14)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide?
N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide has a molecular weight of 347.20 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 100622638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).