2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

C18H30N8O2 — CID 29023568

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H30N8O2/c1-13(2)25(11-16-19-6-7-23(16)5)18(27)12-26-17(20-21-22-26)10-24-8-14(3)28-15(4)9-24/h6-7,13-15H,8-12H2,1-5H3/t14-,15+
InChIKeyYFLVYAGCVOXRJH-GASCZTMLSA-N
MW390.49 g/mol
LogP0.45
Rot. Bonds7

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 29023568) has the molecular formula C18H30N8O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID29023568
Molecular FormulaC18H30N8O2
Molecular Weight390.49 g/mol
Exact Mass390.25
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H30N8O2/c1-13(2)25(11-16-19-6-7-23(16)5)18(27)12-26-17(20-21-22-26)10-24-8-14(3)28-15(4)9-24/h6-7,13-15H,8-12H2,1-5H3/t14-,15+
InChIKeyYFLVYAGCVOXRJH-GASCZTMLSA-N
XLogP0.45
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (CID 29023568) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nccn1C)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-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is YFLVYAGCVOXRJH-GASCZTMLSA-N. The full InChI is InChI=1S/C18H30N8O2/c1-13(2)25(11-16-19-6-7-23(16)5)18(27)12-26-17(20-21-22-26)10-24-8-14(3)28-15(4)9-24/h6-7,13-15H,8-12H2,1-5H3/t14-,15+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 390.49 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 29023568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).