N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide

C22H23IN2O2 — CID 10480010

IUPACN-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide
SMILESCC[n+]1ccc(CNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.[I-]
InChIInChI=1S/C22H22N2O2.HI/c1-2-24-15-13-18(14-16-24)17-23-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-16,26H,2,17H2,1H3;1H
InChIKeyWIKPWJIGCYNTHL-UHFFFAOYSA-N
MW474.34 g/mol
LogP-0.45
Rot. Bonds6

About N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide

N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide (PubChem CID 10480010) has the molecular formula C22H23IN2O2 and a molecular weight of 474.34 g/mol. Its IUPAC name is N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide.

Molecular Properties

Compound NameN-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide
PubChem CID10480010
Molecular FormulaC22H23IN2O2
Molecular Weight474.34 g/mol
Exact Mass474.08
IUPAC NameN-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide
SMILESCC[n+]1ccc(CNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.[I-]
InChIInChI=1S/C22H22N2O2.HI/c1-2-24-15-13-18(14-16-24)17-23-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-16,26H,2,17H2,1H3;1H
InChIKeyWIKPWJIGCYNTHL-UHFFFAOYSA-N
XLogP-0.45
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,2-diphenylacetamide chloride
CID 10005142
2-hydroxy-N-[[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-3-yl]methyl]-2,2-diphenylacetamide chloride
CID 139752444
2-hydroxy-2,2-diphenyl-N-prop-2-ynylacetamide
CID 15023456
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-3,5-ditert-butylbenzamide
CID 11267280
N-benzyl-2-ethyl-2-methylpentanamide
CID 135208385
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide?
The IUPAC name of N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide (CID 10480010) is N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide.
What is the SMILES notation for N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide?
The canonical SMILES for N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide is CC[n+]1ccc(CNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.[I-].
What is the InChIKey of N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide?
The InChIKey is WIKPWJIGCYNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.HI/c1-2-24-15-13-18(14-16-24)17-23-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-16,26H,2,17H2,1H3;1H.
What are the key properties of N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide?
N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide has a molecular weight of 474.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyridin-1-ium-4-yl)methyl]-2-hydroxy-2,2-diphenylacetamide iodide is sourced from PubChem (CID 10480010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).