2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide

C22H31NO3 — CID 46955879

IUPAC2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
SMILESO=C(COCC1CCCCO1)N[C@H]1C2CCCCC2[C@@H]1c1ccccc1
InChIInChI=1S/C22H31NO3/c24-20(15-25-14-17-10-6-7-13-26-17)23-22-19-12-5-4-11-18(19)21(22)16-8-2-1-3-9-16/h1-3,8-9,17-19,21-22H,4-7,10-15H2,(H,23,24)/t17?,18?,19?,21-,22-/m0/s1
InChIKeyLKBLVJDAOFNYSY-QGSFHLTQSA-N
MW357.49 g/mol
LogP3.66
Rot. Bonds6

About 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide

2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide (PubChem CID 46955879) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
PubChem CID46955879
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide
SMILESO=C(COCC1CCCCO1)N[C@H]1C2CCCCC2[C@@H]1c1ccccc1
InChIInChI=1S/C22H31NO3/c24-20(15-25-14-17-10-6-7-13-26-17)23-22-19-12-5-4-11-18(19)21(22)16-8-2-1-3-9-16/h1-3,8-9,17-19,21-22H,4-7,10-15H2,(H,23,24)/t17?,18?,19?,21-,22-/m0/s1
InChIKeyLKBLVJDAOFNYSY-QGSFHLTQSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide with MolForge

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Related Compounds

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2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
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CID 124851811
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
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CID 125170928
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The IUPAC name of 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide (CID 46955879) is 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide is O=C(COCC1CCCCO1)N[C@H]1C2CCCCC2[C@@H]1c1ccccc1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
The InChIKey is LKBLVJDAOFNYSY-QGSFHLTQSA-N. The full InChI is InChI=1S/C22H31NO3/c24-20(15-25-14-17-10-6-7-13-26-17)23-22-19-12-5-4-11-18(19)21(22)16-8-2-1-3-9-16/h1-3,8-9,17-19,21-22H,4-7,10-15H2,(H,23,24)/t17?,18?,19?,21-,22-/m0/s1.
What are the key properties of 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide?
2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide has a molecular weight of 357.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]acetamide is sourced from PubChem (CID 46955879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).