2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride

C16H27ClN2O2 — CID 119757019

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)(C)c1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-6-5-7-14(10-13)16(2,3)12-18-15(19)11-17-8-9-20-4;/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,18,19);1H
InChIKeyWVIWEFLBQRDAIQ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.05
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride (PubChem CID 119757019) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
PubChem CID119757019
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)(C)c1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-6-5-7-14(10-13)16(2,3)12-18-15(19)11-17-8-9-20-4;/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,18,19);1H
InChIKeyWVIWEFLBQRDAIQ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-(2-methoxyethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 119769290
methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
CID 119789402
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158146
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
N-[2-methyl-2-(3-methylphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548155

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride (CID 119757019) is 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride is COCCNCC(=O)NCC(C)(C)c1cccc(C)c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride?
The InChIKey is WVIWEFLBQRDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13-6-5-7-14(10-13)16(2,3)12-18-15(19)11-17-8-9-20-4;/h5-7,10,17H,8-9,11-12H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.05, 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-2-(3-methylphenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119757019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).