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

C18H19NO2 — CID 91792975

IUPAC2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C18H19NO2/c20-18(19-16-11-17-15(16)7-8-21-17)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-17H,7-8,10-11H2,(H,19,20)/t15-,16+,17+/m1/s1
InChIKeySMRIFTQWZAKICY-IKGGRYGDSA-N
MW281.35 g/mol
LogP2.68
Rot. Bonds3

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

2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91792975) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91792975
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C18H19NO2/c20-18(19-16-11-17-15(16)7-8-21-17)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-17H,7-8,10-11H2,(H,19,20)/t15-,16+,17+/m1/s1
InChIKeySMRIFTQWZAKICY-IKGGRYGDSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 3152247
2-(3,4-dimethylphenyl)-N-[1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91789262
3-biphenyl-4-yl-N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]propanamide
CID 133267493
2-(2-methylphenyl)-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 164639991
2-(2-fluoro-4-phenylphenyl)-N-[(1R)-1-(oxolan-3-yl)ethyl]propanamide
CID 25100804
N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91761058
N-[rac-(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]hept-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91761736
N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91762532
N-[rac-(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]hept-6-yl]-2-(3,5-difluorophenyl)acetamide
CID 91768082
N-[rac-(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]hept-6-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91779384
3'-fluoro-N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]biphenyl-3-carboxamide
CID 91783164
N-[rac-(1S,5R,6S)-2-oxabicyclo[3.2.0]hept-6-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91793338

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91792975) is 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is O=C(Cc1ccc2ccccc2c1)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is SMRIFTQWZAKICY-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-16-11-17-15(16)7-8-21-17)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15-17H,7-8,10-11H2,(H,19,20)/t15-,16+,17+/m1/s1.
What are the key properties of 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 281.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91792975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).