2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide

C13H23N5O2 — CID 118795017

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCCn2ccnn2)C[C@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-11-8-17(9-12(2)20-11)10-13(19)14-4-3-6-18-7-5-15-16-18/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,14,19)/t11-,12+
InChIKeyWZBYPSBSCZEUSH-TXEJJXNPSA-N
MW281.36 g/mol
LogP-0.11
Rot. Bonds6

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide (PubChem CID 118795017) 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-[3-(triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide
PubChem CID118795017
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCCn2ccnn2)C[C@H](C)O1
InChIInChI=1S/C13H23N5O2/c1-11-8-17(9-12(2)20-11)10-13(19)14-4-3-6-18-7-5-15-16-18/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,14,19)/t11-,12+
InChIKeyWZBYPSBSCZEUSH-TXEJJXNPSA-N
XLogP-0.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide (CID 118795017) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide is C[C@@H]1CN(CC(=O)NCCCn2ccnn2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
The InChIKey is WZBYPSBSCZEUSH-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11-8-17(9-12(2)20-11)10-13(19)14-4-3-6-18-7-5-15-16-18/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,14,19)/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(triazol-1-yl)propyl]acetamide has a molecular weight of 281.36 g/mol, XLogP of -0.11, 6 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-[3-(triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 118795017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).