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

C17H18INO4 — CID 55577746

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C17H18INO4/c1-21-15-6-3-12(16(9-15)22-2)10-19-17(20)11-23-14-7-4-13(18)5-8-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeySXJGIRQLBAKEIW-UHFFFAOYSA-N
MW427.24 g/mol
LogP3.00
Rot. Bonds7

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

N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide (PubChem CID 55577746) has the molecular formula C17H18INO4 and a molecular weight of 427.24 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
PubChem CID55577746
Molecular FormulaC17H18INO4
Molecular Weight427.24 g/mol
Exact Mass427.03
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C17H18INO4/c1-21-15-6-3-12(16(9-15)22-2)10-19-17(20)11-23-14-7-4-13(18)5-8-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeySXJGIRQLBAKEIW-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 53.00
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

(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
CID 24988768
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7652672
(2,4-dimethoxyphenyl)methylurea
CID 53362457
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861851
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[(2,4-dimethoxyphenyl)methyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 175482811

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide (CID 55577746) is N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide is COc1ccc(CNC(=O)COc2ccc(I)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide?
The InChIKey is SXJGIRQLBAKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO4/c1-21-15-6-3-12(16(9-15)22-2)10-19-17(20)11-23-14-7-4-13(18)5-8-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide has a molecular weight of 427.24 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55577746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).