2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide

C22H26INO2 — CID 23095771

IUPAC2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C)cc1I
InChIInChI=1S/C22H26INO2/c1-15-13-21(16(2)12-20(15)23)24-22(25)14-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,24,25)
InChIKeyGMNSWPQZPJNPEV-UHFFFAOYSA-N
MW463.36 g/mol
LogP5.97
Rot. Bonds5

About 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide

2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (PubChem CID 23095771) has the molecular formula C22H26INO2 and a molecular weight of 463.36 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
PubChem CID23095771
Molecular FormulaC22H26INO2
Molecular Weight463.36 g/mol
Exact Mass463.10
IUPAC Name2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C)cc1I
InChIInChI=1S/C22H26INO2/c1-15-13-21(16(2)12-20(15)23)24-22(25)14-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,24,25)
InChIKeyGMNSWPQZPJNPEV-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-iodophenyl)-2-(4-cyclohexylphenoxy)acetamide
CID 3925742
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2209028
2,4-dichloro-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677401
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (CID 23095771) is 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide is Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C)cc1I.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The InChIKey is GMNSWPQZPJNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26INO2/c1-15-13-21(16(2)12-20(15)23)24-22(25)14-26-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide has a molecular weight of 463.36 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 23095771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).