N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide

C18H20INO4 — CID 34578953

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc(I)c2)cc1OC
InChIInChI=1S/C18H20INO4/c1-22-16-7-6-13(10-17(16)23-2)8-9-20-18(21)12-24-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyPKSKXALQFPDSRL-UHFFFAOYSA-N
MW441.27 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide (PubChem CID 34578953) has the molecular formula C18H20INO4 and a molecular weight of 441.27 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
PubChem CID34578953
Molecular FormulaC18H20INO4
Molecular Weight441.27 g/mol
Exact Mass441.04
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2cccc(I)c2)cc1OC
InChIInChI=1S/C18H20INO4/c1-22-16-7-6-13(10-17(16)23-2)8-9-20-18(21)12-24-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyPKSKXALQFPDSRL-UHFFFAOYSA-N
XLogP3.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 53.05
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

2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893707
2-(4-chloro-3-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18074796
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-[3-[3-(3,4-dimethoxyphenyl)propyl]phenoxy]-N-(hydroperoxymethyl)acetamide
CID 170058578
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide (CID 34578953) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide is COc1ccc(CCNC(=O)COc2cccc(I)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide?
The InChIKey is PKSKXALQFPDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO4/c1-22-16-7-6-13(10-17(16)23-2)8-9-20-18(21)12-24-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide has a molecular weight of 441.27 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide is sourced from PubChem (CID 34578953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).