2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone

C21H27N3O2 — CID 45225298

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone
SMILESCN(CC(=O)N1CCOC(CCc2ccccc2)C1)Cc1ccccn1
InChIInChI=1S/C21H27N3O2/c1-23(15-19-9-5-6-12-22-19)17-21(25)24-13-14-26-20(16-24)11-10-18-7-3-2-4-8-18/h2-9,12,20H,10-11,13-17H2,1H3
InChIKeyGTZLIBZTOYCGKC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.37
Rot. Bonds7

About 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone

2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone (PubChem CID 45225298) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone
PubChem CID45225298
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone
SMILESCN(CC(=O)N1CCOC(CCc2ccccc2)C1)Cc1ccccn1
InChIInChI=1S/C21H27N3O2/c1-23(15-19-9-5-6-12-22-19)17-21(25)24-13-14-26-20(16-24)11-10-18-7-3-2-4-8-18/h2-9,12,20H,10-11,13-17H2,1H3
InChIKeyGTZLIBZTOYCGKC-UHFFFAOYSA-N
XLogP2.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone (CID 45225298) is 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone is CN(CC(=O)N1CCOC(CCc2ccccc2)C1)Cc1ccccn1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone?
The InChIKey is GTZLIBZTOYCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(15-19-9-5-6-12-22-19)17-21(25)24-13-14-26-20(16-24)11-10-18-7-3-2-4-8-18/h2-9,12,20H,10-11,13-17H2,1H3.
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone?
2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[2-(2-phenylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 45225298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).