(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide

C17H18INO2 — CID 1019958

IUPAC(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H18INO2/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLBTDYXGYUNBXCD-CYBMUJFWSA-N
MW395.24 g/mol
LogP4.31
Rot. Bonds4

About (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide

(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide (PubChem CID 1019958) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
PubChem CID1019958
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H18INO2/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLBTDYXGYUNBXCD-CYBMUJFWSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide 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

N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 40769007
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide (CID 1019958) is (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2)c(C)c1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide?
The InChIKey is LBTDYXGYUNBXCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18INO2/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide?
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide has a molecular weight of 395.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 1019958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).