N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide

C20H22N2O3 — CID 164641799

IUPACN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-17(13-22-10-5-4-8-18(22)24)21-19-15-9-11-25-20(15)16(19)12-14-6-2-1-3-7-14/h1-8,10,15-16,19-20H,9,11-13H2,(H,21,23)/t15-,16+,19-,20-/m1/s1
InChIKeyOOHFBKNFNTVSER-WOUAJJJCSA-N
MW338.41 g/mol
LogP1.61
Rot. Bonds5

About N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide

N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 164641799) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID164641799
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-17(13-22-10-5-4-8-18(22)24)21-19-15-9-11-25-20(15)16(19)12-14-6-2-1-3-7-14/h1-8,10,15-16,19-20H,9,11-13H2,(H,21,23)/t15-,16+,19-,20-/m1/s1
InChIKeyOOHFBKNFNTVSER-WOUAJJJCSA-N
XLogP1.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide (CID 164641799) is N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1Cc1ccccc1.
What is the InChIKey of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is OOHFBKNFNTVSER-WOUAJJJCSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17(13-22-10-5-4-8-18(22)24)21-19-15-9-11-25-20(15)16(19)12-14-6-2-1-3-7-14/h1-8,10,15-16,19-20H,9,11-13H2,(H,21,23)/t15-,16+,19-,20-/m1/s1.
What are the key properties of N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 164641799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).