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

C19H33Cl2N3O2 — CID 120797001

IUPAC2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)C(N)C2CCOCC2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-4-14-5-7-15(8-6-14)17(22(2)3)13-21-19(23)18(20)16-9-11-24-12-10-16;;/h5-8,16-18H,4,9-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyJGCCHXFSOGKHAP-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.57
Rot. Bonds7

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

2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797001) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797001
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)C(N)C2CCOCC2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O2.2ClH/c1-4-14-5-7-15(8-6-14)17(22(2)3)13-21-19(23)18(20)16-9-11-24-12-10-16;;/h5-8,16-18H,4,9-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyJGCCHXFSOGKHAP-UHFFFAOYSA-N
XLogP2.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797063
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792813

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797001) is 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CCc1ccc(C(CNC(=O)C(N)C2CCOCC2)N(C)C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is JGCCHXFSOGKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c1-4-14-5-7-15(8-6-14)17(22(2)3)13-21-19(23)18(20)16-9-11-24-12-10-16;;/h5-8,16-18H,4,9-13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).