2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide

C19H21IN2O3 — CID 10389135

IUPAC2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCCc1ccc(I)cc1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C19H21IN2O3/c1-22(19(25)12-15-3-2-4-17(23)11-15)13-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyQJWGHLAOWFLDGM-UHFFFAOYSA-N
MW452.29 g/mol
LogP2.36
Rot. Bonds7

About 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide

2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide (PubChem CID 10389135) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide
PubChem CID10389135
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC Name2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NCCc1ccc(I)cc1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C19H21IN2O3/c1-22(19(25)12-15-3-2-4-17(23)11-15)13-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyQJWGHLAOWFLDGM-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 122149946
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
4-[2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]ethyl]benzoic acid
CID 174478918
2-(3-aminophenyl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 62498364
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide (CID 10389135) is 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide is CN(CC(=O)NCCc1ccc(I)cc1)C(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide?
The InChIKey is QJWGHLAOWFLDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-22(19(25)12-15-3-2-4-17(23)11-15)13-18(24)21-10-9-14-5-7-16(20)8-6-14/h2-8,11,23H,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide?
2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide has a molecular weight of 452.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[2-[2-(4-iodophenyl)ethylamino]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 10389135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).