N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C15H19NO4 — CID 67930798

IUPACN-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C15H19NO4/c1-10(17)16-12-7-13(14-9-19-15(12)20-14)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3,(H,16,17)/t12-,13+,14-,15-/m1/s1
InChIKeyLRLWMCNZPQAXBJ-LXTVHRRPSA-N
MW277.32 g/mol
LogP1.22
Rot. Bonds4

About N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 67930798) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID67930798
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C15H19NO4/c1-10(17)16-12-7-13(14-9-19-15(12)20-14)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3,(H,16,17)/t12-,13+,14-,15-/m1/s1
InChIKeyLRLWMCNZPQAXBJ-LXTVHRRPSA-N
XLogP1.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 67930798) is N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is LRLWMCNZPQAXBJ-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(17)16-12-7-13(14-9-19-15(12)20-14)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3,(H,16,17)/t12-,13+,14-,15-/m1/s1.
What are the key properties of N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 67930798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).