3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide

C14H20N2O2 — CID 61095016

IUPAC3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
SMILESCC(NC(=O)CCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-6-11)16-14(17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17)
InChIKeyOLTXVGRYDASBLB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.95
Rot. Bonds6

About 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide

3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide (PubChem CID 61095016) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
PubChem CID61095016
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
SMILESCC(NC(=O)CCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-6-11)16-14(17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17)
InChIKeyOLTXVGRYDASBLB-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.95
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-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
CID 113476877
N-[2-(3-aminophenoxy)ethyl]-2-cyclopropylpropanamide
CID 83146902
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
3-(3-aminophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281064
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide (CID 61095016) is 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide is CC(NC(=O)CCOc1cccc(N)c1)C1CC1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide?
The InChIKey is OLTXVGRYDASBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-5-6-11)16-14(17)7-8-18-13-4-2-3-12(15)9-13/h2-4,9-11H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide?
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide is sourced from PubChem (CID 61095016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).