2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide

C16H17IN2O3 — CID 71849880

IUPAC2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(I)nc2)c1
InChIInChI=1S/C16H17IN2O3/c1-12-3-2-4-13(9-12)21-8-7-18-16(20)11-22-14-5-6-15(17)19-10-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyYUUFWANBGFXSMO-UHFFFAOYSA-N
MW412.23 g/mol
LogP2.57
Rot. Bonds7

About 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide

2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 71849880) has the molecular formula C16H17IN2O3 and a molecular weight of 412.23 g/mol. Its IUPAC name is 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID71849880
Molecular FormulaC16H17IN2O3
Molecular Weight412.23 g/mol
Exact Mass412.03
IUPAC Name2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(I)nc2)c1
InChIInChI=1S/C16H17IN2O3/c1-12-3-2-4-13(9-12)21-8-7-18-16(20)11-22-14-5-6-15(17)19-10-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyYUUFWANBGFXSMO-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
CID 17422361
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 90537660

Frequently Asked Questions

What is the IUPAC name of 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 71849880) is 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)COc2ccc(I)nc2)c1.
What is the InChIKey of 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is YUUFWANBGFXSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3/c1-12-3-2-4-13(9-12)21-8-7-18-16(20)11-22-14-5-6-15(17)19-10-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20).
What are the key properties of 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 412.23 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 71849880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).