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

C19H22INO2 — CID 70876708

IUPACN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(I)cc2)c(COC)c1
InChIInChI=1S/C19H22INO2/c1-4-19(22)21(5-2)17-10-11-18(15(12-17)13-23-3)14-6-8-16(20)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyZVWBCNNSKDZAGG-UHFFFAOYSA-N
MW423.29 g/mol
LogP4.87
Rot. Bonds6

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

N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide (PubChem CID 70876708) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
PubChem CID70876708
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC NameN-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(I)cc2)c(COC)c1
InChIInChI=1S/C19H22INO2/c1-4-19(22)21(5-2)17-10-11-18(15(12-17)13-23-3)14-6-8-16(20)9-7-14/h6-12H,4-5,13H2,1-3H3
InChIKeyZVWBCNNSKDZAGG-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 54.87
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]propanamide?
The IUPAC name of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide (CID 70876708) is N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide is CCC(=O)N(CC)c1ccc(-c2ccc(I)cc2)c(COC)c1.
What is the InChIKey of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide?
The InChIKey is ZVWBCNNSKDZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-4-19(22)21(5-2)17-10-11-18(15(12-17)13-23-3)14-6-8-16(20)9-7-14/h6-12H,4-5,13H2,1-3H3.
What are the key properties of N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide?
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide has a molecular weight of 423.29 g/mol, XLogP of 4.87, 6 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]propanamide is sourced from PubChem (CID 70876708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).