N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide

C11H14INO3 — CID 78798070

IUPACN-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)NCCCO
InChIInChI=1S/C11H14INO3/c12-9-2-4-10(5-3-9)16-8-11(15)13-6-1-7-14/h2-5,14H,1,6-8H2,(H,13,15)
InChIKeyFFXYTKCZGHAQAQ-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.17
Rot. Bonds6

About N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide

N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide (PubChem CID 78798070) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
PubChem CID78798070
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC NameN-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)NCCCO
InChIInChI=1S/C11H14INO3/c12-9-2-4-10(5-3-9)16-8-11(15)13-6-1-7-14/h2-5,14H,1,6-8H2,(H,13,15)
InChIKeyFFXYTKCZGHAQAQ-UHFFFAOYSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
CID 47102294
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
CID 9076404
N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
CID 134394160
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide (CID 78798070) is N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide?
The InChIKey is FFXYTKCZGHAQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c12-9-2-4-10(5-3-9)16-8-11(15)13-6-1-7-14/h2-5,14H,1,6-8H2,(H,13,15).
What are the key properties of N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide?
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide has a molecular weight of 335.14 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 78798070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).