2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride

C16H27ClN2O2 — CID 86813968

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)(C)Cc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-7-5-6-8-14(13)11-16(2,3)18-15(19)12-17-9-10-20-4;/h5-8,17H,9-12H2,1-4H3,(H,18,19);1H
InChIKeyKAEXZGBKOZTUTG-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.09
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride (PubChem CID 86813968) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
PubChem CID86813968
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)(C)Cc1ccccc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-7-5-6-8-14(13)11-16(2,3)18-15(19)12-17-9-10-20-4;/h5-8,17H,9-12H2,1-4H3,(H,18,19);1H
InChIKeyKAEXZGBKOZTUTG-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
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CID 119774393
4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
CID 119318192
2-(2-methoxyethylamino)-N-(2-methylpentan-2-yl)acetamide
CID 115738896
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335
2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 119792295
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride (CID 86813968) is 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride is COCCNCC(=O)NC(C)(C)Cc1ccccc1C.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The InChIKey is KAEXZGBKOZTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13-7-5-6-8-14(13)11-16(2,3)18-15(19)12-17-9-10-20-4;/h5-8,17H,9-12H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 86813968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).