N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide

C24H24INO4 — CID 4842945

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(-c3ccc(I)cc3)cc2)cc1OC
InChIInChI=1S/C24H24INO4/c1-26(15-17-4-13-22(28-2)23(14-17)29-3)24(27)16-30-21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h4-14H,15-16H2,1-3H3
InChIKeyUYKPEZBVVJBBKW-UHFFFAOYSA-N
MW517.36 g/mol
LogP5.01
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide (PubChem CID 4842945) has the molecular formula C24H24INO4 and a molecular weight of 517.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
PubChem CID4842945
Molecular FormulaC24H24INO4
Molecular Weight517.36 g/mol
Exact Mass517.08
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(-c3ccc(I)cc3)cc2)cc1OC
InChIInChI=1S/C24H24INO4/c1-26(15-17-4-13-22(28-2)23(14-17)29-3)24(27)16-30-21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h4-14H,15-16H2,1-3H3
InChIKeyUYKPEZBVVJBBKW-UHFFFAOYSA-N
XLogP5.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide 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

methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92674939
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 78796591
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide (CID 4842945) is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide is COc1ccc(CN(C)C(=O)COc2ccc(-c3ccc(I)cc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide?
The InChIKey is UYKPEZBVVJBBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24INO4/c1-26(15-17-4-13-22(28-2)23(14-17)29-3)24(27)16-30-21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide has a molecular weight of 517.36 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 4842945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).