N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide

C27H26N2O5 — CID 57212043

IUPACN-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(N2C(=O)C(NC(=O)COc3ccccc3)C2C=Cc2ccccc2)cc1OC
InChIInChI=1S/C27H26N2O5/c1-32-23-16-14-20(17-24(23)33-2)29-22(15-13-19-9-5-3-6-10-19)26(27(29)31)28-25(30)18-34-21-11-7-4-8-12-21/h3-17,22,26H,18H2,1-2H3,(H,28,30)
InChIKeyPYGJNSANQWFUAW-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.70
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide

N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide (PubChem CID 57212043) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide
PubChem CID57212043
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide
SMILESCOc1ccc(N2C(=O)C(NC(=O)COc3ccccc3)C2C=Cc2ccccc2)cc1OC
InChIInChI=1S/C27H26N2O5/c1-32-23-16-14-20(17-24(23)33-2)29-22(15-13-19-9-5-3-6-10-19)26(27(29)31)28-25(30)18-34-21-11-7-4-8-12-21/h3-17,22,26H,18H2,1-2H3,(H,28,30)
InChIKeyPYGJNSANQWFUAW-UHFFFAOYSA-N
XLogP3.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenoxyacetamide
CID 57283520
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
methyl (5R,6R)-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 70548710
sodium 3-methoxy-7-oxo-6-[(2-phenoxyacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 23670465
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
(6S)-4-(chloromethylidene)-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57108103
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
tert-butyl 2-hydroxy-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-sulfanylazetidin-1-yl]acetate
CID 54462129
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
(4S,6S)-4-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57051575
methyl (1R,3R,4R)-11-hydroxy-10-methyl-5-oxo-4-[(2-phenoxyacetyl)amino]-2-thia-6-azatricyclo[6.3.0.03,6]undeca-7,9-diene-7-carboxylate
CID 10454571
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-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide (CID 57212043) is N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide is COc1ccc(N2C(=O)C(NC(=O)COc3ccccc3)C2C=Cc2ccccc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide?
The InChIKey is PYGJNSANQWFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-32-23-16-14-20(17-24(23)33-2)29-22(15-13-19-9-5-3-6-10-19)26(27(29)31)28-25(30)18-34-21-11-7-4-8-12-21/h3-17,22,26H,18H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide?
N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide has a molecular weight of 458.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 57212043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).