2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C16H28N6O2 — CID 28955313

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H28N6O2/c1-6-21(7-12(2)3)16(23)11-22-15(17-18-19-22)10-20-8-13(4)24-14(5)9-20/h13-14H,2,6-11H2,1,3-5H3/t13-,14+
InChIKeyNPYSCXCMFFHPET-OKILXGFUSA-N
MW336.44 g/mol
LogP0.71
Rot. Bonds7

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 28955313) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID28955313
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H28N6O2/c1-6-21(7-12(2)3)16(23)11-22-15(17-18-19-22)10-20-8-13(4)24-14(5)9-20/h13-14H,2,6-11H2,1,3-5H3/t13-,14+
InChIKeyNPYSCXCMFFHPET-OKILXGFUSA-N
XLogP0.71
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 28955313) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is NPYSCXCMFFHPET-OKILXGFUSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-6-21(7-12(2)3)16(23)11-22-15(17-18-19-22)10-20-8-13(4)24-14(5)9-20/h13-14H,2,6-11H2,1,3-5H3/t13-,14+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 28955313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).