2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C14H20INO3 — CID 55685058

IUPAC2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccccc1I
InChIInChI=1S/C14H20INO3/c1-11(2)18-9-5-8-16-14(17)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyPELNACPXDXHQMG-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.60
Rot. Bonds8

About 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 55685058) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID55685058
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC Name2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccccc1I
InChIInChI=1S/C14H20INO3/c1-11(2)18-9-5-8-16-14(17)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyPELNACPXDXHQMG-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
CID 38878415
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 4268508
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 55685058) is 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)COc1ccccc1I.
What is the InChIKey of 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PELNACPXDXHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c1-11(2)18-9-5-8-16-14(17)10-19-13-7-4-3-6-12(13)15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 377.22 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 55685058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).