2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide

C18H33N7O2 — CID 28767216

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)N(C)CCCN2CCCC2)C[C@H](C)O1
InChIInChI=1S/C18H33N7O2/c1-15-11-24(12-16(2)27-15)13-17-19-20-21-25(17)14-18(26)22(3)7-6-10-23-8-4-5-9-23/h15-16H,4-14H2,1-3H3/t15-,16+
InChIKeyRAXJROQLTHALCD-IYBDPMFKSA-N
MW379.51 g/mol
LogP0.23
Rot. Bonds8

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 28767216) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID28767216
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)N(C)CCCN2CCCC2)C[C@H](C)O1
InChIInChI=1S/C18H33N7O2/c1-15-11-24(12-16(2)27-15)13-17-19-20-21-25(17)14-18(26)22(3)7-6-10-23-8-4-5-9-23/h15-16H,4-14H2,1-3H3/t15-,16+
InChIKeyRAXJROQLTHALCD-IYBDPMFKSA-N
XLogP0.23
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 28767216) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide is C[C@@H]1CN(Cc2nnnn2CC(=O)N(C)CCCN2CCCC2)C[C@H](C)O1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is RAXJROQLTHALCD-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-15-11-24(12-16(2)27-15)13-17-19-20-21-25(17)14-18(26)22(3)7-6-10-23-8-4-5-9-23/h15-16H,4-14H2,1-3H3/t15-,16+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 0.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 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-methyl-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 28767216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).