2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 119928312

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-8-13(2)17(14(3)9-12)19-16(21)11-20-7-5-6-15(20)10-18-4;/h8-9,15,18H,5-7,10-11H2,1-4H3,(H,19,21);1H
InChIKeyZBQXFMDWACMTCK-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 119928312) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID119928312
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-8-13(2)17(14(3)9-12)19-16(21)11-20-7-5-6-15(20)10-18-4;/h8-9,15,18H,5-7,10-11H2,1-4H3,(H,19,21);1H
InChIKeyZBQXFMDWACMTCK-UHFFFAOYSA-N
XLogP2.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 119928363
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 119928312) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is CNCC1CCCN1CC(=O)Nc1c(C)cc(C)cc1C.Cl.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is ZBQXFMDWACMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-12-8-13(2)17(14(3)9-12)19-16(21)11-20-7-5-6-15(20)10-18-4;/h8-9,15,18H,5-7,10-11H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119928312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).