2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C15H23N3O2 — CID 61090043

IUPAC2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c1-2-18-8-4-6-13(18)10-17-15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,2,4,6,8,10-11,16H2,1H3,(H,17,19)
InChIKeyDUMPVIOJCXBDSV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds6

About 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 61090043) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID61090043
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)COc1cccc(N)c1
InChIInChI=1S/C15H23N3O2/c1-2-18-8-4-6-13(18)10-17-15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,2,4,6,8,10-11,16H2,1H3,(H,17,19)
InChIKeyDUMPVIOJCXBDSV-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 124754501
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 61090043) is 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is DUMPVIOJCXBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-8-4-6-13(18)10-17-15(19)11-20-14-7-3-5-12(16)9-14/h3,5,7,9,13H,2,4,6,8,10-11,16H2,1H3,(H,17,19).
What are the key properties of 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 61090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).