N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide

C14H18N2O4 — CID 67744007

IUPACN-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SMILESCOC(C)[C@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(19-2)12-13(14(18)16-12)15-11(17)8-20-10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,15,17)(H,16,18)/t9?,12-,13+/m1/s1
InChIKeyCXYFJINLOBDZDJ-MDGPAFOCSA-N
MW278.31 g/mol
LogP0.08
Rot. Bonds6

About N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide

N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide (PubChem CID 67744007) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
PubChem CID67744007
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SMILESCOC(C)[C@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(19-2)12-13(14(18)16-12)15-11(17)8-20-10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,15,17)(H,16,18)/t9?,12-,13+/m1/s1
InChIKeyCXYFJINLOBDZDJ-MDGPAFOCSA-N
XLogP0.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]-2-phenoxyacetamide
CID 54478307
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
tert-butyl 2-hydroxy-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfanylazetidin-1-yl]acetate
CID 54462129
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 70465563
methyl (5R,6R)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 70548710
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971
methyl 2-[(2R,3R)-2-acetylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-chloroacetate
CID 88750825

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide (CID 67744007) is N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide is COC(C)[C@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1.
What is the InChIKey of N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The InChIKey is CXYFJINLOBDZDJ-MDGPAFOCSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(19-2)12-13(14(18)16-12)15-11(17)8-20-10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3,(H,15,17)(H,16,18)/t9?,12-,13+/m1/s1.
What are the key properties of N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide has a molecular weight of 278.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 67744007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).