2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide

C14H22N2O2 — CID 54928983

IUPAC2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cccc(CC(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-16-14(17)11(3)18-13-7-5-6-12(9-13)8-10(2)15/h5-7,9-11H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCRCJFMQCBUEGPP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds6

About 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide

2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide (PubChem CID 54928983) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide
PubChem CID54928983
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cccc(CC(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-16-14(17)11(3)18-13-7-5-6-12(9-13)8-10(2)15/h5-7,9-11H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCRCJFMQCBUEGPP-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenoxypropanamide
CID 4282518
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-[3-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906549
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
CID 43278248
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide (CID 54928983) is 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1cccc(CC(C)N)c1.
What is the InChIKey of 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide?
The InChIKey is CRCJFMQCBUEGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16-14(17)11(3)18-13-7-5-6-12(9-13)8-10(2)15/h5-7,9-11H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide?
2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 54928983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).