2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide

C16H24N6O3 — CID 72847315

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)N(C)Cc2ccoc2)C[C@H](C)O1
InChIInChI=1S/C16H24N6O3/c1-12-6-21(7-13(2)25-12)9-15-17-18-19-22(15)10-16(23)20(3)8-14-4-5-24-11-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13+
InChIKeyPRXVJVIAAHEMKP-BETUJISGSA-N
MW348.41 g/mol
LogP0.53
Rot. Bonds6

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide (PubChem CID 72847315) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide
PubChem CID72847315
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)N(C)Cc2ccoc2)C[C@H](C)O1
InChIInChI=1S/C16H24N6O3/c1-12-6-21(7-13(2)25-12)9-15-17-18-19-22(15)10-16(23)20(3)8-14-4-5-24-11-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13+
InChIKeyPRXVJVIAAHEMKP-BETUJISGSA-N
XLogP0.53
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.53
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-(furan-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide (CID 72847315) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide is C[C@@H]1CN(Cc2nnnn2CC(=O)N(C)Cc2ccoc2)C[C@H](C)O1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide?
The InChIKey is PRXVJVIAAHEMKP-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-12-6-21(7-13(2)25-12)9-15-17-18-19-22(15)10-16(23)20(3)8-14-4-5-24-11-14/h4-5,11-13H,6-10H2,1-3H3/t12-,13+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-(furan-3-ylmethyl)-N-methylacetamide has a molecular weight of 348.41 g/mol, XLogP of 0.53, 6 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-(furan-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 72847315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).