3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide

C15H23N3O2 — CID 62636073

IUPAC3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)20-12-7-15(19)17-8-11-18-9-3-4-10-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19)
InChIKeyGARUEDCNISNXOV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds7

About 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 62636073) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID62636073
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)20-12-7-15(19)17-8-11-18-9-3-4-10-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19)
InChIKeyGARUEDCNISNXOV-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 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 ≤ 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

3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 62636073) is 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide is Nc1ccccc1OCCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is GARUEDCNISNXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-13-5-1-2-6-14(13)20-12-7-15(19)17-8-11-18-9-3-4-10-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19).
What are the key properties of 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 62636073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).