N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide

C18H20INO2 — CID 70876710

IUPACN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1ccc(-c2ccc(I)cc2)c(COC)c1
InChIInChI=1S/C18H20INO2/c1-4-20(13(2)21)17-9-10-18(15(11-17)12-22-3)14-5-7-16(19)8-6-14/h5-11H,4,12H2,1-3H3
InChIKeyUESAAJGAHZSFBS-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.48
Rot. Bonds5

About N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide

N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide (PubChem CID 70876710) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
PubChem CID70876710
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1ccc(-c2ccc(I)cc2)c(COC)c1
InChIInChI=1S/C18H20INO2/c1-4-20(13(2)21)17-9-10-18(15(11-17)12-22-3)14-5-7-16(19)8-6-14/h5-11H,4,12H2,1-3H3
InChIKeyUESAAJGAHZSFBS-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide (CID 70876710) is N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide is CCN(C(C)=O)c1ccc(-c2ccc(I)cc2)c(COC)c1.
What is the InChIKey of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide?
The InChIKey is UESAAJGAHZSFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-4-20(13(2)21)17-9-10-18(15(11-17)12-22-3)14-5-7-16(19)8-6-14/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide?
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide has a molecular weight of 409.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 70876710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).