tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate

C24H28N2O5 — CID 10093833

IUPACtert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(OC2N(C(=O)NCc3ccccc3)C(=O)C2(C)C)cc1
InChIInChI=1S/C24H28N2O5/c1-23(2,3)31-19(27)17-11-13-18(14-12-17)30-21-24(4,5)20(28)26(21)22(29)25-15-16-9-7-6-8-10-16/h6-14,21H,15H2,1-5H3,(H,25,29)
InChIKeyYCJLYCMJXWPXKI-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.12
Rot. Bonds5

About tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate

tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate (PubChem CID 10093833) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate.

Molecular Properties

Compound Nametert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
PubChem CID10093833
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Nametert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
SMILESCC(C)(C)OC(=O)c1ccc(OC2N(C(=O)NCc3ccccc3)C(=O)C2(C)C)cc1
InChIInChI=1S/C24H28N2O5/c1-23(2,3)31-19(27)17-11-13-18(14-12-17)30-21-24(4,5)20(28)26(21)22(29)25-15-16-9-7-6-8-10-16/h6-14,21H,15H2,1-5H3,(H,25,29)
InChIKeyYCJLYCMJXWPXKI-UHFFFAOYSA-N
XLogP4.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(2S,3R)-3-benzyl-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10324177
tert-butyl 4-[(2S,3S)-3-benzyl-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10481593
4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-3-methyl-4-oxoazetidin-2-yl]oxybenzoic acid
CID 10429981
tert-butyl 4-(benzylamino)benzoate
CID 67130530
4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid
CID 10479667
benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
CID 10458654
benzyl 4-[(2S)-3,3-diethyl-4-oxo-1-[4-[4-(trifluoromethyl)phenyl]but-3-enylcarbamoyl]azetidin-2-yl]oxybenzoate
CID 68732205
tert-butyl 2-[4-[3,3-diethyl-4-oxo-1-[3-(phenylmethoxycarbonylamino)propylcarbamoyl]azetidin-2-yl]oxyphenyl]acetate
CID 139666072
4-[3,3-diethyl-1-(furan-2-ylmethylcarbamoyl)-4-oxoazetidin-2-yl]oxybenzoic acid
CID 10091533
tert-butyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoate
CID 129218173
CID 162139404
CID 162139404
N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide
CID 10430684

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate?
The IUPAC name of tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate (CID 10093833) is tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate.
What is the SMILES notation for tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate?
The canonical SMILES for tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate is CC(C)(C)OC(=O)c1ccc(OC2N(C(=O)NCc3ccccc3)C(=O)C2(C)C)cc1.
What is the InChIKey of tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate?
The InChIKey is YCJLYCMJXWPXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-23(2,3)31-19(27)17-11-13-18(14-12-17)30-21-24(4,5)20(28)26(21)22(29)25-15-16-9-7-6-8-10-16/h6-14,21H,15H2,1-5H3,(H,25,29).
What are the key properties of tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate?
tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate has a molecular weight of 424.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate is sourced from PubChem (CID 10093833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).