2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride

C22H35Cl2N3O3 — CID 119829777

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C22H33N3O3.2ClH/c1-27-20-6-2-17(3-7-20)21(25-8-10-28-11-9-25)15-23-22(26)14-16-12-18-4-5-19(13-16)24-18;;/h2-3,6-7,16,18-19,21,24H,4-5,8-15H2,1H3,(H,23,26);2*1H
InChIKeyRHQJZQJAHATFIR-UHFFFAOYSA-N
MW460.45 g/mol
LogP2.95
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride (PubChem CID 119829777) has the molecular formula C22H35Cl2N3O3 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
PubChem CID119829777
Molecular FormulaC22H35Cl2N3O3
Molecular Weight460.45 g/mol
Exact Mass459.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C22H33N3O3.2ClH/c1-27-20-6-2-17(3-7-20)21(25-8-10-28-11-9-25)15-23-22(26)14-16-12-18-4-5-19(13-16)24-18;;/h2-3,6-7,16,18-19,21,24H,4-5,8-15H2,1H3,(H,23,26);2*1H
InChIKeyRHQJZQJAHATFIR-UHFFFAOYSA-N
XLogP2.95
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119829763
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 9465413
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride (CID 119829777) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride is COc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The InChIKey is RHQJZQJAHATFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.2ClH/c1-27-20-6-2-17(3-7-20)21(25-8-10-28-11-9-25)15-23-22(26)14-16-12-18-4-5-19(13-16)24-18;;/h2-3,6-7,16,18-19,21,24H,4-5,8-15H2,1H3,(H,23,26);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride has a molecular weight of 460.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119829777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).