2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C17H28Cl3N3O2 — CID 120797063

IUPAC2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C(N)C1CCOCC1)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H26ClN3O2.2ClH/c1-21(2)15(13-5-3-4-6-14(13)18)11-20-17(22)16(19)12-7-9-23-10-8-12;;/h3-6,12,15-16H,7-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyKDZGQNZATOKUIR-UHFFFAOYSA-N
MW412.79 g/mol
LogP2.66
Rot. Bonds6

About 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797063) has the molecular formula C17H28Cl3N3O2 and a molecular weight of 412.79 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797063
Molecular FormulaC17H28Cl3N3O2
Molecular Weight412.79 g/mol
Exact Mass411.12
IUPAC Name2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C(N)C1CCOCC1)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H26ClN3O2.2ClH/c1-21(2)15(13-5-3-4-6-14(13)18)11-20-17(22)16(19)12-7-9-23-10-8-12;;/h3-6,12,15-16H,7-11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyKDZGQNZATOKUIR-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797001
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43047848
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120792510
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-(oxan-4-yl)acetamide
CID 120798822
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797063) is 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)C(CNC(=O)C(N)C1CCOCC1)c1ccccc1Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is KDZGQNZATOKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.2ClH/c1-21(2)15(13-5-3-4-6-14(13)18)11-20-17(22)16(19)12-7-9-23-10-8-12;;/h3-6,12,15-16H,7-11,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 412.79 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).