N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide

C18H20INO3 — CID 17034271

IUPACN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H20INO3/c1-4-17(23-15-8-6-14(22-3)7-9-15)18(21)20-16-10-5-13(19)11-12(16)2/h5-11,17H,4H2,1-3H3,(H,20,21)
InChIKeyQQXJNCRFHLVNIE-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.40
Rot. Bonds6

About N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide

N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 17034271) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
PubChem CID17034271
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H20INO3/c1-4-17(23-15-8-6-14(22-3)7-9-15)18(21)20-16-10-5-13(19)11-12(16)2/h5-11,17H,4H2,1-3H3,(H,20,21)
InChIKeyQQXJNCRFHLVNIE-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)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

2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide (CID 17034271) is N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is QQXJNCRFHLVNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-4-17(23-15-8-6-14(22-3)7-9-15)18(21)20-16-10-5-13(19)11-12(16)2/h5-11,17H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide?
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide has a molecular weight of 425.27 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 17034271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).