N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide

C20H25INO2- — CID 58773791

IUPACN-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide
SMILESCCNC(=O)CCCCCOc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C20H25INO2/c1-2-22-20(23)11-7-4-8-16-24-19-14-12-18(13-15-19)21-17-9-5-3-6-10-17/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,22,23)/q-1
InChIKeyJWXUBWDGMAFMDM-UHFFFAOYSA-N
MW438.33 g/mol
LogP0.89
Rot. Bonds10

About N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide

N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide (PubChem CID 58773791) has the molecular formula C20H25INO2- and a molecular weight of 438.33 g/mol. Its IUPAC name is N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide.

Molecular Properties

Compound NameN-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide
PubChem CID58773791
Molecular FormulaC20H25INO2-
Molecular Weight438.33 g/mol
Exact Mass438.09
IUPAC NameN-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide
SMILESCCNC(=O)CCCCCOc1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C20H25INO2/c1-2-22-20(23)11-7-4-8-16-24-19-14-12-18(13-15-19)21-17-9-5-3-6-10-17/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,22,23)/q-1
InChIKeyJWXUBWDGMAFMDM-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
N-ethyl-6-phenylhexanamide
CID 70953257
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
N,N'-diethylnonanediamide
CID 89048639
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
9-phenoxynonanoic acid
CID 15887638
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide?
The IUPAC name of N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide (CID 58773791) is N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide.
What is the SMILES notation for N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide?
The canonical SMILES for N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide is CCNC(=O)CCCCCOc1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide?
The InChIKey is JWXUBWDGMAFMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25INO2/c1-2-22-20(23)11-7-4-8-16-24-19-14-12-18(13-15-19)21-17-9-5-3-6-10-17/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,22,23)/q-1.
What are the key properties of N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide?
N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide has a molecular weight of 438.33 g/mol, XLogP of 0.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-phenyliodanuidylphenoxy)hexanamide is sourced from PubChem (CID 58773791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).