2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide

C15H23N3O2 — CID 81493988

IUPAC2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCNC1CCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-16-13-7-9-18(11-13)12-15(19)17-8-10-20-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyINZGBUUWCCAXEF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.48
Rot. Bonds7

About 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 81493988) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID81493988
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCNC1CCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C15H23N3O2/c1-16-13-7-9-18(11-13)12-15(19)17-8-10-20-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyINZGBUUWCCAXEF-UHFFFAOYSA-N
XLogP0.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.48
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

1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
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
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
N-(2-ethoxyethyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919895

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 81493988) is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide is CNC1CCN(CC(=O)NCCOc2ccccc2)C1.
What is the InChIKey of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is INZGBUUWCCAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-13-7-9-18(11-13)12-15(19)17-8-10-20-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19).
What are the key properties of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 81493988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).