N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide

C22H33N3O2 — CID 3081004

IUPACN-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C22H33N3O2/c1-2-22(26)25(18-6-4-3-5-7-18)21-16-19-8-9-20(17-21)24(19)11-10-23-12-14-27-15-13-23/h3-7,19-21H,2,8-17H2,1H3
InChIKeyGPSZVWQBJSLLKQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds6

About N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide

N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide (PubChem CID 3081004) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide
PubChem CID3081004
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C22H33N3O2/c1-2-22(26)25(18-6-4-3-5-7-18)21-16-19-8-9-20(17-21)24(19)11-10-23-12-14-27-15-13-23/h3-7,19-21H,2,8-17H2,1H3
InChIKeyGPSZVWQBJSLLKQ-UHFFFAOYSA-N
XLogP2.76
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide?
The IUPAC name of N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide (CID 3081004) is N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide?
The canonical SMILES for N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC2CCC(C1)N2CCN1CCOCC1.
What is the InChIKey of N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide?
The InChIKey is GPSZVWQBJSLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-22(26)25(18-6-4-3-5-7-18)21-16-19-8-9-20(17-21)24(19)11-10-23-12-14-27-15-13-23/h3-7,19-21H,2,8-17H2,1H3.
What are the key properties of N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide?
N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide has a molecular weight of 371.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 3081004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).