N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide

C13H18INO3 — CID 103851034

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO3/c1-9-4-3-5-11(12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyZIALUXUAUMCNKA-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.73
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide (PubChem CID 103851034) has the molecular formula C13H18INO3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
PubChem CID103851034
Molecular FormulaC13H18INO3
Molecular Weight363.20 g/mol
Exact Mass363.03
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1cccc(C)c1I
InChIInChI=1S/C13H18INO3/c1-9-4-3-5-11(12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyZIALUXUAUMCNKA-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326
3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
N-(1,1-dimethoxypropan-2-yl)-2-iodo-3-methylbenzamide
CID 114030618
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide (CID 103851034) is N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide is COCC(CCO)NC(=O)c1cccc(C)c1I.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide?
The InChIKey is ZIALUXUAUMCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO3/c1-9-4-3-5-11(12(9)14)13(17)15-10(6-7-16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide has a molecular weight of 363.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103851034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).