2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride

C16H26ClN3O2 — CID 119922080

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)NCCOc2ccccc2)C1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-17-11-14-7-9-19(12-14)13-16(20)18-8-10-21-15-5-3-2-4-6-15;/h2-6,14,17H,7-13H2,1H3,(H,18,20);1H
InChIKeyFAEVNJASZDZWKD-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.14
Rot. Bonds8

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride (PubChem CID 119922080) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
PubChem CID119922080
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)NCCOc2ccccc2)C1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-17-11-14-7-9-19(12-14)13-16(20)18-8-10-21-15-5-3-2-4-6-15;/h2-6,14,17H,7-13H2,1H3,(H,18,20);1H
InChIKeyFAEVNJASZDZWKD-UHFFFAOYSA-N
XLogP1.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
CID 63263850
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride (CID 119922080) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride is CNCC1CCN(CC(=O)NCCOc2ccccc2)C1.Cl.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The InChIKey is FAEVNJASZDZWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-17-11-14-7-9-19(12-14)13-16(20)18-8-10-21-15-5-3-2-4-6-15;/h2-6,14,17H,7-13H2,1H3,(H,18,20);1H.
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 119922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).