N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide

C17H23NO2 — CID 133265817

IUPACN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C17H23NO2/c19-17(18-15-12-16-14(15)10-11-20-16)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,18,19)/t14-,15+,16+/m0/s1
InChIKeyBXWSVBSJTREFNG-ARFHVFGLSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds6

About N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide

N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide (PubChem CID 133265817) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
PubChem CID133265817
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C17H23NO2/c19-17(18-15-12-16-14(15)10-11-20-16)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,18,19)/t14-,15+,16+/m0/s1
InChIKeyBXWSVBSJTREFNG-ARFHVFGLSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
CID 91788204
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
2-(4-chlorophenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268040
2-(benzotriazol-2-yl)-N-(2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
CID 156608498
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91761948
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide?
The IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide (CID 133265817) is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide.
What is the SMILES notation for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide?
The canonical SMILES for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide?
The InChIKey is BXWSVBSJTREFNG-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(18-15-12-16-14(15)10-11-20-16)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,18,19)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide?
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide has a molecular weight of 273.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide is sourced from PubChem (CID 133265817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).