N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C22H25NO5 — CID 135067404

IUPACN-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)NC1C2OCC(O2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C22H25NO5/c1-15(24)23-19-21(26-13-17-10-6-3-7-11-17)20(18-14-27-22(19)28-18)25-12-16-8-4-2-5-9-16/h2-11,18-22H,12-14H2,1H3,(H,23,24)
InChIKeyYPDDXFXDSGOEGI-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.42
Rot. Bonds7

About N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 135067404) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID135067404
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)NC1C2OCC(O2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C22H25NO5/c1-15(24)23-19-21(26-13-17-10-6-3-7-11-17)20(18-14-27-22(19)28-18)25-12-16-8-4-2-5-9-16/h2-11,18-22H,12-14H2,1H3,(H,23,24)
InChIKeyYPDDXFXDSGOEGI-UHFFFAOYSA-N
XLogP2.42
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R,3S,4R,5R)-4-acetyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14033686
2-[(4-amino-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid
CID 123463377
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
N-[(2R,4aR,6S,7S,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 71776403
N-[(4aR,6S,7R,8R,8aS)-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 14160808
(2R)-2-[[(2S,3R,4R)-4-azido-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
CID 86712096
(1R,2R,3R,4S)-3-fluoro-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384779
(2R,4R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 88623037
(1S,2S,4S,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 170910139
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 135067404) is N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)NC1C2OCC(O2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is YPDDXFXDSGOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15(24)23-19-21(26-13-17-10-6-3-7-11-17)20(18-14-27-22(19)28-18)25-12-16-8-4-2-5-9-16/h2-11,18-22H,12-14H2,1H3,(H,23,24).
What are the key properties of N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 383.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 135067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).