2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride

C17H21ClN2O — CID 2874909

IUPAC2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
SMILESCc1cc[n+](CC(=O)N(c2ccccc2)C(C)C)cc1.[Cl-]
InChIInChI=1S/C17H21N2O.ClH/c1-14(2)19(16-7-5-4-6-8-16)17(20)13-18-11-9-15(3)10-12-18;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1
InChIKeyPHVVRDNLVQPARH-UHFFFAOYSA-M
MW304.82 g/mol
LogP-0.27
Rot. Bonds4

About 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride

2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride (PubChem CID 2874909) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride.

Molecular Properties

Compound Name2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
PubChem CID2874909
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
SMILESCc1cc[n+](CC(=O)N(c2ccccc2)C(C)C)cc1.[Cl-]
InChIInChI=1S/C17H21N2O.ClH/c1-14(2)19(16-7-5-4-6-8-16)17(20)13-18-11-9-15(3)10-12-18;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1
InChIKeyPHVVRDNLVQPARH-UHFFFAOYSA-M
XLogP-0.27
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-diphenylacetamide
CID 3165547
2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 4245884
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
CID 175422167
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
9-oxo-N-phenyl-N-propan-2-yldecanamide
CID 70913748
2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
CID 2770190
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride?
The IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride (CID 2874909) is 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride.
What is the SMILES notation for 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride?
The canonical SMILES for 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride is Cc1cc[n+](CC(=O)N(c2ccccc2)C(C)C)cc1.[Cl-].
What is the InChIKey of 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride?
The InChIKey is PHVVRDNLVQPARH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21N2O.ClH/c1-14(2)19(16-7-5-4-6-8-16)17(20)13-18-11-9-15(3)10-12-18;/h4-12,14H,13H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride?
2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride has a molecular weight of 304.82 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride is sourced from PubChem (CID 2874909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).