2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride

C15H23ClN2O3 — CID 119581712

IUPAC2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(9-16)17(4)15(19)12(3)20-14-7-5-6-13(8-14)11(2)18;/h5-8,10,12H,9,16H2,1-4H3;1H
InChIKeyNDUDGWXMRYWVLJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.88
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride

2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride (PubChem CID 119581712) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
PubChem CID119581712
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(9-16)17(4)15(19)12(3)20-14-7-5-6-13(8-14)11(2)18;/h5-8,10,12H,9,16H2,1-4H3;1H
InChIKeyNDUDGWXMRYWVLJ-UHFFFAOYSA-N
XLogP1.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 95040633
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
N-(1-aminopropan-2-yl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119584023
N-(1-aminopropan-2-yl)-2-(2-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119583700
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 95040643
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride (CID 119581712) is 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride is CC(=O)c1cccc(OC(C)C(=O)N(C)C(C)CN)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride?
The InChIKey is NDUDGWXMRYWVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(9-16)17(4)15(19)12(3)20-14-7-5-6-13(8-14)11(2)18;/h5-8,10,12H,9,16H2,1-4H3;1H.
What are the key properties of 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride?
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).