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

C13H21N2O2+ — CID 8827152

IUPACN-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCCOCCCNC(=O)C[n+]1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-17-10-4-7-14-13(16)11-15-8-5-12(2)6-9-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/p+1
InChIKeyPIBLGKBTZXBBKR-UHFFFAOYSA-O
MW237.32 g/mol
LogP0.83
Rot. Bonds7

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

N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8827152) has the molecular formula C13H21N2O2+ and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8827152
Molecular FormulaC13H21N2O2+
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCCOCCCNC(=O)C[n+]1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-17-10-4-7-14-13(16)11-15-8-5-12(2)6-9-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/p+1
InChIKeyPIBLGKBTZXBBKR-UHFFFAOYSA-O
XLogP0.83
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.83
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

N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
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-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 8827152) is N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is CCOCCCNC(=O)C[n+]1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is PIBLGKBTZXBBKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-10-4-7-14-13(16)11-15-8-5-12(2)6-9-15/h5-6,8-9H,3-4,7,10-11H2,1-2H3/p+1.
What are the key properties of N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 237.32 g/mol, XLogP of 0.83, 7 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-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8827152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).