2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride

C14H21ClN2O3 — CID 120828020

IUPAC2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1cccc(C(C)=O)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10(15-3)8-16-14(18)9-19-13-6-4-5-12(7-13)11(2)17;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18);1H
InChIKeyWESQCUWMCSZDQR-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.41
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120828020) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120828020
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1cccc(C(C)=O)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10(15-3)8-16-14(18)9-19-13-6-4-5-12(7-13)11(2)17;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18);1H
InChIKeyWESQCUWMCSZDQR-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120828020) is 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)COc1cccc(C(C)=O)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is WESQCUWMCSZDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-10(15-3)8-16-14(18)9-19-13-6-4-5-12(7-13)11(2)17;/h4-7,10,15H,8-9H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.41, 7 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-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120828020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).