N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine

C24H33N3O2 — CID 144895569

IUPACN-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine
SMILESCNC(=O)COc1cccc2c1NCCC2.c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H16N2O2.C12H17N/c1-13-11(15)8-16-10-6-2-4-9-5-3-7-14-12(9)10;1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h2,4,6,14H,3,5,7-8H2,1H3,(H,13,15);1-3,6-7H,4-5,8-11H2
InChIKeyPCOSUCTWWVNALN-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine

N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine (PubChem CID 144895569) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine
PubChem CID144895569
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine
SMILESCNC(=O)COc1cccc2c1NCCC2.c1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H16N2O2.C12H17N/c1-13-11(15)8-16-10-6-2-4-9-5-3-7-14-12(9)10;1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h2,4,6,14H,3,5,7-8H2,1H3,(H,13,15);1-3,6-7H,4-5,8-11H2
InChIKeyPCOSUCTWWVNALN-UHFFFAOYSA-N
XLogP3.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine (CID 144895569) is N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine is CNC(=O)COc1cccc2c1NCCC2.c1ccc(CCN2CCCC2)cc1.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine?
The InChIKey is PCOSUCTWWVNALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C12H17N/c1-13-11(15)8-16-10-6-2-4-9-5-3-7-14-12(9)10;1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h2,4,6,14H,3,5,7-8H2,1H3,(H,13,15);1-3,6-7H,4-5,8-11H2.
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine?
N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine has a molecular weight of 395.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide;1-(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 144895569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).