methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate

C20H21NO4 — CID 11302209

IUPACmethyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-10-8-16(9-11-17)14-21-18(22)13-20(21,19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKeyOIWBYSOLNJHAEL-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.58
Rot. Bonds6

About methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate

methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate (PubChem CID 11302209) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
PubChem CID11302209
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C20H21NO4/c1-24-17-10-8-16(9-11-17)14-21-18(22)13-20(21,19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKeyOIWBYSOLNJHAEL-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate?
The IUPAC name of methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate (CID 11302209) is methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate?
The canonical SMILES for methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate is COC(=O)C1(Cc2ccccc2)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate?
The InChIKey is OIWBYSOLNJHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-17-10-8-16(9-11-17)14-21-18(22)13-20(21,19(23)25-2)12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3.
What are the key properties of methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate?
methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 11302209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).