2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride

C15H23ClN2O3 — CID 120830590

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16-3)9-17-15(19)8-13-7-12(11(2)18)5-6-14(13)20-4;/h5-7,10,16H,8-9H2,1-4H3,(H,17,19);1H
InChIKeyVAFBNBIWTOTFIX-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.59
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120830590) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120830590
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16-3)9-17-15(19)8-13-7-12(11(2)18)5-6-14(13)20-4;/h5-7,10,16H,8-9H2,1-4H3,(H,17,19);1H
InChIKeyVAFBNBIWTOTFIX-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
2-(5-acetyl-2-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161796
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34729772
3-methoxy-N-[2-(methylamino)propyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120829798
(2S,3S)-2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 119194209

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120830590) is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is VAFBNBIWTOTFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(16-3)9-17-15(19)8-13-7-12(11(2)18)5-6-14(13)20-4;/h5-7,10,16H,8-9H2,1-4H3,(H,17,19);1H.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120830590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).