2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride

C15H23ClN2O3 — CID 119429487

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11(18)12-5-6-14(20-3)13(9-12)10-15(19)17-8-4-7-16-2;/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19);1H
InChIKeyCGUMKPCXAYBOIH-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.59
Rot. Bonds8

About 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride

2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 119429487) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
PubChem CID119429487
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11(18)12-5-6-14(20-3)13(9-12)10-15(19)17-8-4-7-16-2;/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19);1H
InChIKeyCGUMKPCXAYBOIH-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-ethoxypropyl)acetamide
CID 78789004
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride (CID 119429487) is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride is CNCCCNC(=O)Cc1cc(C(C)=O)ccc1OC.Cl.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is CGUMKPCXAYBOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11(18)12-5-6-14(20-3)13(9-12)10-15(19)17-8-4-7-16-2;/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,19);1H.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.59, 8 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-[3-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119429487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).