N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide

C14H21N2O+ — CID 2112597

IUPACN-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[NH+]1CCCC1
InChIInChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)14(17)12-16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3/p+1
InChIKeyJZMPVKAAGJORTE-UHFFFAOYSA-O
MW233.34 g/mol
LogP0.32
Rot. Bonds4

About N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide

N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 2112597) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID2112597
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC NameN-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[NH+]1CCCC1
InChIInChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)14(17)12-16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3/p+1
InChIKeyJZMPVKAAGJORTE-UHFFFAOYSA-O
XLogP0.32
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
CID 2471437
2-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719133
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-methylacetamide
CID 8591672
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 9223295
N-[(3-chlorophenyl)methyl]-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621564
N-benzyl-N-methyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 6600908
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542339
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8597079
(3S)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305006
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N-methylprop-2-ynamide
CID 87311570

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide (CID 2112597) is N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide is CN(Cc1ccccc1)C(=O)C[NH+]1CCCC1.
What is the InChIKey of N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is JZMPVKAAGJORTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)14(17)12-16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3/p+1.
What are the key properties of N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide?
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 233.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 2112597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).