N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

C19H20INO3 — CID 26054584

IUPACN-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(I)cc2C)c(OC)c1
InChIInChI=1S/C19H20INO3/c1-4-5-14-6-9-17(18(11-14)23-3)24-12-19(22)21-16-8-7-15(20)10-13(16)2/h4-11H,12H2,1-3H3,(H,21,22)/b5-4+
InChIKeyJPHXOPZPOMEZMW-SNAWJCMRSA-N
MW437.28 g/mol
LogP4.66
Rot. Bonds6

About N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (PubChem CID 26054584) has the molecular formula C19H20INO3 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
PubChem CID26054584
Molecular FormulaC19H20INO3
Molecular Weight437.28 g/mol
Exact Mass437.05
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C/c1ccc(OCC(=O)Nc2ccc(I)cc2C)c(OC)c1
InChIInChI=1S/C19H20INO3/c1-4-5-14-6-9-17(18(11-14)23-3)24-12-19(22)21-16-8-7-15(20)10-13(16)2/h4-11H,12H2,1-3H3,(H,21,22)/b5-4+
InChIKeyJPHXOPZPOMEZMW-SNAWJCMRSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
methyl 4-chloro-3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]benzoate
CID 18273621
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide (CID 26054584) is N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is C/C=C/c1ccc(OCC(=O)Nc2ccc(I)cc2C)c(OC)c1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is JPHXOPZPOMEZMW-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H20INO3/c1-4-5-14-6-9-17(18(11-14)23-3)24-12-19(22)21-16-8-7-15(20)10-13(16)2/h4-11H,12H2,1-3H3,(H,21,22)/b5-4+.
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide?
N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 437.28 g/mol, XLogP of 4.66, 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-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 26054584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).