N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide

C23H27NO3 — CID 91784343

IUPACN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide
SMILESCOC[C@@H]1[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C23H27NO3/c1-26-15-20-22(18-12-13-27-23(18)20)24-21(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3,(H,24,25)/t18-,20+,22+,23-/m0/s1
InChIKeyCSVDGGOTKXSIEC-WJFJTQNHSA-N
MW365.47 g/mol
LogP3.37
Rot. Bonds7

About N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide (PubChem CID 91784343) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide
PubChem CID91784343
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide
SMILESCOC[C@@H]1[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C23H27NO3/c1-26-15-20-22(18-12-13-27-23(18)20)24-21(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3,(H,24,25)/t18-,20+,22+,23-/m0/s1
InChIKeyCSVDGGOTKXSIEC-WJFJTQNHSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264692
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylbenzamide
CID 133267195
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
2-(3-chloro-4-hydroxyphenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91760662
2-(difluoromethoxy)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91787561
2-(2-chloro-6-fluorophenyl)-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91771862
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91842908
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-thiophen-3-ylpropanamide
CID 91784616
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 91794587
3-(3,4-difluorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133266659

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide (CID 91784343) is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide is COC[C@@H]1[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide?
The InChIKey is CSVDGGOTKXSIEC-WJFJTQNHSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-15-20-22(18-12-13-27-23(18)20)24-21(25)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3,(H,24,25)/t18-,20+,22+,23-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide?
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide has a molecular weight of 365.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 91784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).