2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide

C13H23N5O2 — CID 124869439

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC[C@H](C)n2cncn2)C[C@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyPSDPGBXDKBJBDA-SDDRHHMPSA-N
MW281.36 g/mol
LogP0.06
Rot. Bonds5

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 124869439) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID124869439
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC[C@H](C)n2cncn2)C[C@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyPSDPGBXDKBJBDA-SDDRHHMPSA-N
XLogP0.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide (CID 124869439) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide is C[C@@H]1CN(CC(=O)NC[C@H](C)n2cncn2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is PSDPGBXDKBJBDA-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(18-9-14-8-16-18)4-15-13(19)7-17-5-11(2)20-12(3)6-17/h8-12H,4-7H2,1-3H3,(H,15,19)/t10-,11-,12+/m0/s1.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 124869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).