2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide

C20H24INO2 — CID 22780659

IUPAC2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1
InChIInChI=1S/C20H24INO2/c1-5-13(2)16-6-8-17(9-7-16)24-12-20(23)22-19-11-14(3)18(21)10-15(19)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)
InChIKeyCTNFABGXTNTZMT-UHFFFAOYSA-N
MW437.32 g/mol
LogP5.44
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (PubChem CID 22780659) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
PubChem CID22780659
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1
InChIInChI=1S/C20H24INO2/c1-5-13(2)16-6-8-17(9-7-16)24-12-20(23)22-19-11-14(3)18(21)10-15(19)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)
InChIKeyCTNFABGXTNTZMT-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 19629255
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
CID 39378744
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 21209219
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2209028

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide (CID 22780659) is 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
The InChIKey is CTNFABGXTNTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO2/c1-5-13(2)16-6-8-17(9-7-16)24-12-20(23)22-19-11-14(3)18(21)10-15(19)4/h6-11,13H,5,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide has a molecular weight of 437.32 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22780659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).