N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

C14H23N2O2+ — CID 8877383

IUPACN-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)NCCCOC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-5-13-6-9-16(10-7-13)12-14(17)15-8-4-11-18-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3/p+1
InChIKeyLAGVHCVEFKXEHQ-UHFFFAOYSA-O
MW251.35 g/mol
LogP1.08
Rot. Bonds8

About N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877383) has the molecular formula C14H23N2O2+ and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877383
Molecular FormulaC14H23N2O2+
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)NCCCOC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-5-13-6-9-16(10-7-13)12-14(17)15-8-4-11-18-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3/p+1
InChIKeyLAGVHCVEFKXEHQ-UHFFFAOYSA-O
XLogP1.08
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.08
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-[2-(4-chlorophenyl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877328
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827152
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
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-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877598
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877383) is N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)NCCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is LAGVHCVEFKXEHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-13-6-9-16(10-7-13)12-14(17)15-8-4-11-18-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3/p+1.
What are the key properties of N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 251.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).