N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide

C17H18INO4 — CID 17360519

IUPACN-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(I)cc2)c1
InChIInChI=1S/C17H18INO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyQOMIBJPTPKIYCD-UHFFFAOYSA-N
MW427.24 g/mol
LogP3.71
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide

N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide (PubChem CID 17360519) has the molecular formula C17H18INO4 and a molecular weight of 427.24 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
PubChem CID17360519
Molecular FormulaC17H18INO4
Molecular Weight427.24 g/mol
Exact Mass427.03
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(I)cc2)c1
InChIInChI=1S/C17H18INO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyQOMIBJPTPKIYCD-UHFFFAOYSA-N
XLogP3.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397117
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide (CID 17360519) is N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2ccc(I)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide?
The InChIKey is QOMIBJPTPKIYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide?
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide has a molecular weight of 427.24 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 17360519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).