1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone

C18H32N4O3 — CID 91842274

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone
SMILESCOCCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C18H32N4O3/c1-13-9-22(10-14(2)25-13)18(23)12-21(7-8-24-6)11-17-15(3)19-20(5)16(17)4/h13-14H,7-12H2,1-6H3/t13-,14+
InChIKeyDMTSCGFVWJWSDO-OKILXGFUSA-N
MW352.48 g/mol
LogP1.12
Rot. Bonds7

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone (PubChem CID 91842274) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone
PubChem CID91842274
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone
SMILESCOCCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C18H32N4O3/c1-13-9-22(10-14(2)25-13)18(23)12-21(7-8-24-6)11-17-15(3)19-20(5)16(17)4/h13-14H,7-12H2,1-6H3/t13-,14+
InChIKeyDMTSCGFVWJWSDO-OKILXGFUSA-N
XLogP1.12
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone (CID 91842274) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone is COCCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone?
The InChIKey is DMTSCGFVWJWSDO-OKILXGFUSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-13-9-22(10-14(2)25-13)18(23)12-21(7-8-24-6)11-17-15(3)19-20(5)16(17)4/h13-14H,7-12H2,1-6H3/t13-,14+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone has a molecular weight of 352.48 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethanone is sourced from PubChem (CID 91842274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).