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

C17H21N2O2+ — CID 8877598

IUPACN-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-5-14-8-10-19(11-9-14)13-17(20)18-15-6-4-7-16(12-15)21-2/h4,6-12H,3,5,13H2,1-2H3/p+1
InChIKeySMWSJBYSKCFBSO-UHFFFAOYSA-O
MW285.37 g/mol
LogP2.57
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877598) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877598
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-5-14-8-10-19(11-9-14)13-17(20)18-15-6-4-7-16(12-15)21-2/h4,6-12H,3,5,13H2,1-2H3/p+1
InChIKeySMWSJBYSKCFBSO-UHFFFAOYSA-O
XLogP2.57
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877610
2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8831164
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877598) is N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is SMWSJBYSKCFBSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-3-5-14-8-10-19(11-9-14)13-17(20)18-15-6-4-7-16(12-15)21-2/h4,6-12H,3,5,13H2,1-2H3/p+1.
What are the key properties of N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).