N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide

C18H19NO2 — CID 100959524

IUPACN-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19(12-15-8-4-2-5-9-15)17-13-21-18(17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyWBWLLAQVAXPMFK-QZTJIDSGSA-N
MW281.36 g/mol
LogP3.18
Rot. Bonds4

About N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide

N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide (PubChem CID 100959524) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
PubChem CID100959524
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide
SMILESCC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(20)19(12-15-8-4-2-5-9-15)17-13-21-18(17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyWBWLLAQVAXPMFK-QZTJIDSGSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
COX inhibitor, 5a
CID 12444099
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
C16H26Ino2
CID 16682312
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide?
The IUPAC name of N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide (CID 100959524) is N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide is CC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1c1ccccc1.
What is the InChIKey of N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide?
The InChIKey is WBWLLAQVAXPMFK-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(20)19(12-15-8-4-2-5-9-15)17-13-21-18(17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide?
N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R,3R)-2-phenyloxetan-3-yl]acetamide is sourced from PubChem (CID 100959524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).