2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide

C16H25N3O2 — CID 79304400

IUPAC2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
SMILESCCN1CCCC1CN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(19)11-18(2)16(20)12-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3
InChIKeyNYBQUAOCNPSKIM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide

2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide (PubChem CID 79304400) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
PubChem CID79304400
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
SMILESCCN1CCCC1CN(C)C(=O)COc1ccccc1N
InChIInChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(19)11-18(2)16(20)12-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3
InChIKeyNYBQUAOCNPSKIM-UHFFFAOYSA-N
XLogP1.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 79309724
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]aniline
CID 60973851
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
2-(2-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide (CID 79304400) is 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide is CCN1CCCC1CN(C)C(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
The InChIKey is NYBQUAOCNPSKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(19)11-18(2)16(20)12-21-15-9-5-4-8-14(15)17/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide?
2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 79304400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).