N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide

C18H23N2O2+ — CID 20771800

IUPACN-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
SMILESCCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-22-14-6-11-19-18(21)15-20-12-9-17(10-13-20)16-7-4-3-5-8-16/h3-5,7-10,12-13H,2,6,11,14-15H2,1H3/p+1
InChIKeyIPTASJKAMRQJSZ-UHFFFAOYSA-O
MW299.39 g/mol
LogP2.18
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide

N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 20771800) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID20771800
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC NameN-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
SMILESCCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-22-14-6-11-19-18(21)15-20-12-9-17(10-13-20)16-7-4-3-5-8-16/h3-5,7-10,12-13H,2,6,11,14-15H2,1H3/p+1
InChIKeyIPTASJKAMRQJSZ-UHFFFAOYSA-O
XLogP2.18
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827152
2-(4-phenylpyridin-1-ium-1-yl)-N-[2-[2-[2-[2-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 22889790
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111223424

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide (CID 20771800) is N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide is CCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is IPTASJKAMRQJSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-2-22-14-6-11-19-18(21)15-20-12-9-17(10-13-20)16-7-4-3-5-8-16/h3-5,7-10,12-13H,2,6,11,14-15H2,1H3/p+1.
What are the key properties of N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 299.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 20771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).