4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide

C18H20INO3 — CID 18229012

IUPAC4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C18H20INO3/c1-2-22-16-9-3-4-10-17(16)23-12-6-11-18(21)20-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,21)
InChIKeyNZGXRSJBUANNSN-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.49
Rot. Bonds8

About 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide

4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide (PubChem CID 18229012) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
PubChem CID18229012
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC Name4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C18H20INO3/c1-2-22-16-9-3-4-10-17(16)23-12-6-11-18(21)20-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,21)
InChIKeyNZGXRSJBUANNSN-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.49
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'}

Analyze 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
N-(3-iodophenyl)octanamide
CID 55026619
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide (CID 18229012) is 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide is CCOc1ccccc1OCCCC(=O)Nc1cccc(I)c1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide?
The InChIKey is NZGXRSJBUANNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-2-22-16-9-3-4-10-17(16)23-12-6-11-18(21)20-15-8-5-7-14(19)13-15/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,20,21).
What are the key properties of 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide?
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide has a molecular weight of 425.27 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide is sourced from PubChem (CID 18229012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).