methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

C22H24N2O7 — CID 70577436

IUPACmethyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESCOC(=O)C1(NC(C)=O)CC(=O)N1Cc1ccc(OC)cc1OC.c1cc2cc(c1)O2
InChIInChI=1S/C16H20N2O6.C6H4O/c1-10(19)17-16(15(21)24-4)8-14(20)18(16)9-11-5-6-12(22-2)7-13(11)23-3;1-2-5-4-6(3-1)7-5/h5-7H,8-9H2,1-4H3,(H,17,19);1-4H
InChIKeyYZHNRRQYARGIOA-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.23
Rot. Bonds6

About methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (PubChem CID 70577436) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.

Molecular Properties

Compound Namemethyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
PubChem CID70577436
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Namemethyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
SMILESCOC(=O)C1(NC(C)=O)CC(=O)N1Cc1ccc(OC)cc1OC.c1cc2cc(c1)O2
InChIInChI=1S/C16H20N2O6.C6H4O/c1-10(19)17-16(15(21)24-4)8-14(20)18(16)9-11-5-6-12(22-2)7-13(11)23-3;1-2-5-4-6(3-1)7-5/h5-7H,8-9H2,1-4H3,(H,17,19);1-4H
InChIKeyYZHNRRQYARGIOA-UHFFFAOYSA-N
XLogP2.23
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene 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

1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
(2R)-N-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722342
methyl 1-[(2,4-dimethoxyphenyl)methyl]-2-(hydroxymethyl)-5-oxo-6H-[1,3]benzodioxolo[5,6-h]quinoline-2-carboxylate
CID 172838975
methyl 1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 154598078
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
N-[1-[(2,4-dimethoxyphenyl)methyl]-2-(hydroxymethyl)-4-oxoazetidin-3-yl]acetamide
CID 21244479
methyl (2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate
CID 167040600
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
methyl (2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(2-methylphenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylate
CID 146786942
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The IUPAC name of methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene (CID 70577436) is methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene.
What is the SMILES notation for methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The canonical SMILES for methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is COC(=O)C1(NC(C)=O)CC(=O)N1Cc1ccc(OC)cc1OC.c1cc2cc(c1)O2.
What is the InChIKey of methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
The InChIKey is YZHNRRQYARGIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6.C6H4O/c1-10(19)17-16(15(21)24-4)8-14(20)18(16)9-11-5-6-12(22-2)7-13(11)23-3;1-2-5-4-6(3-1)7-5/h5-7H,8-9H2,1-4H3,(H,17,19);1-4H.
What are the key properties of methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene?
methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene has a molecular weight of 428.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene is sourced from PubChem (CID 70577436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).