3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide

C14H20N2O2 — CID 63367378

IUPAC3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
SMILESC[C@H](N)c1cccc(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(15)11-3-2-4-13(9-11)18-8-7-14(17)16-12-5-6-12/h2-4,9-10,12H,5-8,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyDSJJYVQYNYJPMO-JTQLQIEISA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds6

About 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide

3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide (PubChem CID 63367378) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
PubChem CID63367378
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
SMILESC[C@H](N)c1cccc(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(15)11-3-2-4-13(9-11)18-8-7-14(17)16-12-5-6-12/h2-4,9-10,12H,5-8,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyDSJJYVQYNYJPMO-JTQLQIEISA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
methyl 4-[3-(1-aminoethyl)phenoxy]butanoate
CID 60879024
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
6-[2-[2-[6-[3-[(1R)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]hexanoic acid;hydrochloride
CID 164592528
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
methyl 4-[2-[2-[6-[3-[(1S)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]butanoate
CID 164593088

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide (CID 63367378) is 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide is C[C@H](N)c1cccc(OCCC(=O)NC2CC2)c1.
What is the InChIKey of 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide?
The InChIKey is DSJJYVQYNYJPMO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)11-3-2-4-13(9-11)18-8-7-14(17)16-12-5-6-12/h2-4,9-10,12H,5-8,15H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide?
3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 63367378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).