benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate

C23H28N2O3 — CID 5278442

IUPACbenzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-22(2,3)24-20(26)23(16-18-10-6-4-7-11-18)14-15-25(23)21(27)28-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,24,26)
InChIKeyJFIXROJBZJCSEH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.93
Rot. Bonds5

About benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate

benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate (PubChem CID 5278442) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate
PubChem CID5278442
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebenzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H28N2O3/c1-22(2,3)24-20(26)23(16-18-10-6-4-7-11-18)14-15-25(23)21(27)28-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,24,26)
InChIKeyJFIXROJBZJCSEH-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate (CID 5278442) is benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate is CC(C)(C)NC(=O)C1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is JFIXROJBZJCSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-22(2,3)24-20(26)23(16-18-10-6-4-7-11-18)14-15-25(23)21(27)28-17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,24,26).
What are the key properties of benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate?
benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-2-(tert-butylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 5278442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).