N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide

C19H18N2O3 — CID 70574394

IUPACN-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@H]1C(=O)N[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-17(13-24-15-9-5-2-6-10-15)21-18-16(20-19(18)23)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,23)(H,21,22)/b12-11+/t16-,18+/m0/s1
InChIKeyYPXIRIDFMOHRNL-XBOKISCZSA-N
MW322.36 g/mol
LogP1.76
Rot. Bonds6

About N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide

N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide (PubChem CID 70574394) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
PubChem CID70574394
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@H]1C(=O)N[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-17(13-24-15-9-5-2-6-10-15)21-18-16(20-19(18)23)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,23)(H,21,22)/b12-11+/t16-,18+/m0/s1
InChIKeyYPXIRIDFMOHRNL-XBOKISCZSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide (CID 70574394) is N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@H]1C(=O)N[C@H]1/C=C/c1ccccc1.
What is the InChIKey of N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide?
The InChIKey is YPXIRIDFMOHRNL-XBOKISCZSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(13-24-15-9-5-2-6-10-15)21-18-16(20-19(18)23)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,23)(H,21,22)/b12-11+/t16-,18+/m0/s1.
What are the key properties of N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide?
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide has a molecular weight of 322.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 70574394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).