2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone

C15H23N3O2 — CID 124757497

IUPAC2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone
SMILESC[C@@H](Cc1ccccn1)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-13(11-14-5-3-4-6-16-14)17(2)12-15(19)18-7-9-20-10-8-18/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyWMGYYUOXTHQJCK-ZDUSSCGKSA-N
MW277.37 g/mol
LogP0.80
Rot. Bonds5

About 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone

2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone (PubChem CID 124757497) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone
PubChem CID124757497
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone
SMILESC[C@@H](Cc1ccccn1)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-13(11-14-5-3-4-6-16-14)17(2)12-15(19)18-7-9-20-10-8-18/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyWMGYYUOXTHQJCK-ZDUSSCGKSA-N
XLogP0.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone (CID 124757497) is 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone is C[C@@H](Cc1ccccn1)N(C)CC(=O)N1CCOCC1.
What is the InChIKey of 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone?
The InChIKey is WMGYYUOXTHQJCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13(11-14-5-3-4-6-16-14)17(2)12-15(19)18-7-9-20-10-8-18/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone has a molecular weight of 277.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2S)-1-pyridin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 124757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).