N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide

C22H25NO2 — CID 50952576

IUPACN-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-17(24)23-20-15-21(13-12-18-8-4-2-5-9-18)25-22(16-20)14-19-10-6-3-7-11-19/h2-13,20-22H,14-16H2,1H3,(H,23,24)/b13-12+/t20-,21+,22-/m0/s1
InChIKeyQUVIWLDFVFZEIK-YCWBKLQFSA-N
MW335.45 g/mol
LogP3.99
Rot. Bonds5

About N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide (PubChem CID 50952576) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
PubChem CID50952576
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](/C=C/c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-17(24)23-20-15-21(13-12-18-8-4-2-5-9-18)25-22(16-20)14-19-10-6-3-7-11-19/h2-13,20-22H,14-16H2,1H3,(H,23,24)/b13-12+/t20-,21+,22-/m0/s1
InChIKeyQUVIWLDFVFZEIK-YCWBKLQFSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 164628472
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CID 21753665
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CID 68191415
CID 68191415
CID 3017584
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CID 107135
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CID 44153518
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CID 14141284
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CID 44349938
CID 44349938

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide (CID 50952576) is N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](/C=C/c2ccccc2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
The InChIKey is QUVIWLDFVFZEIK-YCWBKLQFSA-N. The full InChI is InChI=1S/C22H25NO2/c1-17(24)23-20-15-21(13-12-18-8-4-2-5-9-18)25-22(16-20)14-19-10-6-3-7-11-19/h2-13,20-22H,14-16H2,1H3,(H,23,24)/b13-12+/t20-,21+,22-/m0/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-[(E)-2-phenylethenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 50952576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).