2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide

C24H28INO4 — CID 159066552

IUPAC2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(I)cc3)CC2)cc1
InChIInChI=1S/C24H28INO4/c1-17-2-10-22(11-3-17)29-15-21(27)14-18-4-8-20(9-5-18)26-24(28)16-30-23-12-6-19(25)7-13-23/h2-3,6-7,10-13,18,20H,4-5,8-9,14-16H2,1H3,(H,26,28)
InChIKeyJZDDWABLWNOENO-UHFFFAOYSA-N
MW521.40 g/mol
LogP4.69
Rot. Bonds9

About 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide

2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide (PubChem CID 159066552) has the molecular formula C24H28INO4 and a molecular weight of 521.40 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
PubChem CID159066552
Molecular FormulaC24H28INO4
Molecular Weight521.40 g/mol
Exact Mass521.11
IUPAC Name2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(I)cc3)CC2)cc1
InChIInChI=1S/C24H28INO4/c1-17-2-10-22(11-3-17)29-15-21(27)14-18-4-8-20(9-5-18)26-24(28)16-30-23-12-6-19(25)7-13-23/h2-3,6-7,10-13,18,20H,4-5,8-9,14-16H2,1H3,(H,26,28)
InChIKeyJZDDWABLWNOENO-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
CID 153167840
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 158031609
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide (CID 159066552) is 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide is Cc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(I)cc3)CC2)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
The InChIKey is JZDDWABLWNOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28INO4/c1-17-2-10-22(11-3-17)29-15-21(27)14-18-4-8-20(9-5-18)26-24(28)16-30-23-12-6-19(25)7-13-23/h2-3,6-7,10-13,18,20H,4-5,8-9,14-16H2,1H3,(H,26,28).
What are the key properties of 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide?
2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide has a molecular weight of 521.40 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide is sourced from PubChem (CID 159066552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).