3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide

C16H24N2O2 — CID 61102914

IUPAC3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
SMILESNc1cccc(OCCC(=O)NCCC2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-3-7-15(12-14)20-11-9-16(19)18-10-8-13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11,17H2,(H,18,19)
InChIKeyNKJGUSNCYFTPOQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.73
Rot. Bonds7

About 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide

3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide (PubChem CID 61102914) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
PubChem CID61102914
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
SMILESNc1cccc(OCCC(=O)NCCC2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c17-14-6-3-7-15(12-14)20-11-9-16(19)18-10-8-13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11,17H2,(H,18,19)
InChIKeyNKJGUSNCYFTPOQ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide (CID 61102914) is 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide is Nc1cccc(OCCC(=O)NCCC2CCCC2)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide?
The InChIKey is NKJGUSNCYFTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-3-7-15(12-14)20-11-9-16(19)18-10-8-13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11,17H2,(H,18,19).
What are the key properties of 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide?
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide is sourced from PubChem (CID 61102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).