(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide

C18H20INO2 — CID 30396590

IUPAC(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H20INO2/c1-4-16(22-17-8-6-5-7-12(17)2)18(21)20-15-10-9-14(19)11-13(15)3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyIAYXNGPTCYTKDJ-MRXNPFEDSA-N
MW409.27 g/mol
LogP4.70
Rot. Bonds5

About (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide

(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 30396590) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
PubChem CID30396590
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C18H20INO2/c1-4-16(22-17-8-6-5-7-12(17)2)18(21)20-15-10-9-14(19)11-13(15)3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyIAYXNGPTCYTKDJ-MRXNPFEDSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
methyl 4-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzoate
CID 43916305
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide (CID 30396590) is (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide is CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is IAYXNGPTCYTKDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20INO2/c1-4-16(22-17-8-6-5-7-12(17)2)18(21)20-15-10-9-14(19)11-13(15)3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide?
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 409.27 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 30396590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).