2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride

C13H19ClN2O3 — CID 119382393

IUPAC2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NCCN)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9(16)11-4-3-5-12(8-11)18-10(2)13(17)15-7-6-14;/h3-5,8,10H,6-7,14H2,1-2H3,(H,15,17);1H
InChIKeyULOVRFJSQZXOPJ-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.15
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride

2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride (PubChem CID 119382393) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
PubChem CID119382393
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NCCN)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9(16)11-4-3-5-12(8-11)18-10(2)13(17)15-7-6-14;/h3-5,8,10H,6-7,14H2,1-2H3,(H,15,17);1H
InChIKeyULOVRFJSQZXOPJ-UHFFFAOYSA-N
XLogP1.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 51102404
(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
CID 52834656
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride (CID 119382393) is 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride is CC(=O)c1cccc(OC(C)C(=O)NCCN)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride?
The InChIKey is ULOVRFJSQZXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-9(16)11-4-3-5-12(8-11)18-10(2)13(17)15-7-6-14;/h3-5,8,10H,6-7,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride?
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride is sourced from PubChem (CID 119382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).