N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

C22H31N3O3 — CID 108527470

IUPACN-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C22H31N3O3/c1-21(2)12-16-13-22(3,14-21)15-25(16)20(27)19(26)23-17-6-4-5-7-18(17)24-8-10-28-11-9-24/h4-7,16H,8-15H2,1-3H3,(H,23,26)
InChIKeyLJKRTNYFYIYMBR-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.89
Rot. Bonds2

About N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (PubChem CID 108527470) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
PubChem CID108527470
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C22H31N3O3/c1-21(2)12-16-13-22(3,14-21)15-25(16)20(27)19(26)23-17-6-4-5-7-18(17)24-8-10-28-11-9-24/h4-7,16H,8-15H2,1-3H3,(H,23,26)
InChIKeyLJKRTNYFYIYMBR-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3747462
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide
CID 796337
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108525389
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108529023
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (CID 108527470) is N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is CC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccccc2N2CCOCC2)C1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The InChIKey is LJKRTNYFYIYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-21(2)12-16-13-22(3,14-21)15-25(16)20(27)19(26)23-17-6-4-5-7-18(17)24-8-10-28-11-9-24/h4-7,16H,8-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is sourced from PubChem (CID 108527470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).