ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate

C21H22N2O4 — CID 20522480

IUPACethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1C(=O)C(NC(C)=O)C1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-3-27-21(26)19(16-12-8-5-9-13-16)23-18(15-10-6-4-7-11-15)17(20(23)25)22-14(2)24/h4-13,17-19H,3H2,1-2H3,(H,22,24)
InChIKeyINQUFTWWDQDZSV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.38
Rot. Bonds6

About ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate

ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate (PubChem CID 20522480) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
PubChem CID20522480
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1C(=O)C(NC(C)=O)C1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-3-27-21(26)19(16-12-8-5-9-13-16)23-18(15-10-6-4-7-11-15)17(20(23)25)22-14(2)24/h4-13,17-19H,3H2,1-2H3,(H,22,24)
InChIKeyINQUFTWWDQDZSV-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 6-acetamido-3,5,7-trioxo-1-phenyl-2,8-dihydro-1H-pyrrolizine-2-carboxylate
CID 5232329
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate
CID 92643637
[2-oxo-4-phenyl-1-(1-phenylethyl)azetidin-3-yl] acetate
CID 22901647
N-[(2R,3R,6S)-1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl]acetamide
CID 95907396
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
[2-oxo-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-3-yl] 2-methylpropanoate
CID 67705047
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate (CID 20522480) is ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)N1C(=O)C(NC(C)=O)C1c1ccccc1.
What is the InChIKey of ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
The InChIKey is INQUFTWWDQDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-27-21(26)19(16-12-8-5-9-13-16)23-18(15-10-6-4-7-11-15)17(20(23)25)22-14(2)24/h4-13,17-19H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate?
ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate has a molecular weight of 366.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetamido-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate is sourced from PubChem (CID 20522480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).