N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide

C17H18INO2 — CID 1421738

IUPACN-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
SMILESCCc1cc(I)ccc1NC(=O)COc1ccccc1C
InChIInChI=1S/C17H18INO2/c1-3-13-10-14(18)8-9-15(13)19-17(20)11-21-16-7-5-4-6-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyCQEVCSAXXRYBTA-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.18
Rot. Bonds5

About N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide

N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide (PubChem CID 1421738) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
PubChem CID1421738
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC NameN-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
SMILESCCc1cc(I)ccc1NC(=O)COc1ccccc1C
InChIInChI=1S/C17H18INO2/c1-3-13-10-14(18)8-9-15(13)19-17(20)11-21-16-7-5-4-6-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyCQEVCSAXXRYBTA-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.18
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-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
CID 1018410
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
CID 81289571
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946
N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide (CID 1421738) is N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide is CCc1cc(I)ccc1NC(=O)COc1ccccc1C.
What is the InChIKey of N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide?
The InChIKey is CQEVCSAXXRYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2/c1-3-13-10-14(18)8-9-15(13)19-17(20)11-21-16-7-5-4-6-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide?
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide has a molecular weight of 395.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1421738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).