3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide

C16H26N2O2 — CID 65039442

IUPAC3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-4-16(5-2,6-3)18-15(19)10-11-20-14-9-7-8-13(17)12-14/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyPIZYLOCIOQLFBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.12
Rot. Bonds8

About 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide

3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide (PubChem CID 65039442) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
PubChem CID65039442
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
SMILESCCC(CC)(CC)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-4-16(5-2,6-3)18-15(19)10-11-20-14-9-7-8-13(17)12-14/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyPIZYLOCIOQLFBS-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.12
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

N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide (CID 65039442) is 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide is CCC(CC)(CC)NC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide?
The InChIKey is PIZYLOCIOQLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(5-2,6-3)18-15(19)10-11-20-14-9-7-8-13(17)12-14/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide?
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide is sourced from PubChem (CID 65039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).