N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide

C16H19N2O+ — CID 3657439

IUPACN-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
SMILESCC(C)N(C(=O)C[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2O/c1-14(2)18(15-9-5-3-6-10-15)16(19)13-17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3/q+1
InChIKeyVAEVHMSMXMVLJF-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.42
Rot. Bonds4

About N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide

N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide (PubChem CID 3657439) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
PubChem CID3657439
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC NameN-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
SMILESCC(C)N(C(=O)C[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2O/c1-14(2)18(15-9-5-3-6-10-15)16(19)13-17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3/q+1
InChIKeyVAEVHMSMXMVLJF-UHFFFAOYSA-N
XLogP2.42
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.42
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

2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 2874909
2-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 4245884
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-diphenylacetamide
CID 3165547
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
9-oxo-N-phenyl-N-propan-2-yldecanamide
CID 70913748
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide (CID 3657439) is N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide is CC(C)N(C(=O)C[n+]1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is VAEVHMSMXMVLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O/c1-14(2)18(15-9-5-3-6-10-15)16(19)13-17-11-7-4-8-12-17/h3-12,14H,13H2,1-2H3/q+1.
What are the key properties of N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide?
N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 3657439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).