2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C21H25IN2O4 — CID 112793405

IUPAC2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccc(I)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25IN2O4/c1-26-18-6-2-16(3-7-18)20(24-10-12-27-13-11-24)14-23-21(25)15-28-19-8-4-17(22)5-9-19/h2-9,20H,10-15H2,1H3,(H,23,25)
InChIKeyVMPQQYRTKXPXHE-UHFFFAOYSA-N
MW496.35 g/mol
LogP2.87
Rot. Bonds8

About 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 112793405) has the molecular formula C21H25IN2O4 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID112793405
Molecular FormulaC21H25IN2O4
Molecular Weight496.35 g/mol
Exact Mass496.09
IUPAC Name2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccc(I)cc2)N2CCOCC2)cc1
InChIInChI=1S/C21H25IN2O4/c1-26-18-6-2-16(3-7-18)20(24-10-12-27-13-11-24)14-23-21(25)15-28-19-8-4-17(22)5-9-19/h2-9,20H,10-15H2,1H3,(H,23,25)
InChIKeyVMPQQYRTKXPXHE-UHFFFAOYSA-N
XLogP2.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-phenoxyacetamide
CID 35578113
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 112793405) is 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc(C(CNC(=O)COc2ccc(I)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is VMPQQYRTKXPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25IN2O4/c1-26-18-6-2-16(3-7-18)20(24-10-12-27-13-11-24)14-23-21(25)15-28-19-8-4-17(22)5-9-19/h2-9,20H,10-15H2,1H3,(H,23,25).
What are the key properties of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 496.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 112793405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).