2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

C21H26INO3 — CID 133217376

IUPAC2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)COc2ccc(I)cc2)cc1C(C)C
InChIInChI=1S/C21H26INO3/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)23-21(24)12-26-17-8-6-16(22)7-9-17/h6-11,13,15H,12H2,1-5H3,(H,23,24)
InChIKeyUUPBMODPQSDPKP-UHFFFAOYSA-N
MW467.35 g/mol
LogP4.99
Rot. Bonds7

About 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 133217376) has the molecular formula C21H26INO3 and a molecular weight of 467.35 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
PubChem CID133217376
Molecular FormulaC21H26INO3
Molecular Weight467.35 g/mol
Exact Mass467.10
IUPAC Name2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)COc2ccc(I)cc2)cc1C(C)C
InChIInChI=1S/C21H26INO3/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)23-21(24)12-26-17-8-6-16(22)7-9-17/h6-11,13,15H,12H2,1-5H3,(H,23,24)
InChIKeyUUPBMODPQSDPKP-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 133186578
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719203
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125088231
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217446
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (CID 133217376) is 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is COc1cc(C)c(C(C)NC(=O)COc2ccc(I)cc2)cc1C(C)C.
What is the InChIKey of 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is UUPBMODPQSDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26INO3/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)23-21(24)12-26-17-8-6-16(22)7-9-17/h6-11,13,15H,12H2,1-5H3,(H,23,24).
What are the key properties of 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?
2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 467.35 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 133217376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).