benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate

C30H32N2O5 — CID 10458654

IUPACbenzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1OCc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(29(35)31-19-22-11-7-5-8-12-22)28(30)37-21-24-15-17-25(18-16-24)26(33)36-20-23-13-9-6-10-14-23/h5-18,28H,3-4,19-21H2,1-2H3,(H,31,35)
InChIKeyCPMXYIIQKYYOFX-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.44
Rot. Bonds10

About benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate

benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate (PubChem CID 10458654) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
PubChem CID10458654
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Namebenzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1OCc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(29(35)31-19-22-11-7-5-8-12-22)28(30)37-21-24-15-17-25(18-16-24)26(33)36-20-23-13-9-6-10-14-23/h5-18,28H,3-4,19-21H2,1-2H3,(H,31,35)
InChIKeyCPMXYIIQKYYOFX-UHFFFAOYSA-N
XLogP5.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate with MolForge

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Related Compounds

N-benzyl-3,3-diethyl-2-oxo-4-[(E)-1-phenylethylideneamino]oxyazetidine-1-carboxamide
CID 10430684
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
benzyl 4-[(2S)-3,3-diethyl-4-oxo-1-[4-[4-(trifluoromethyl)phenyl]but-3-enylcarbamoyl]azetidin-2-yl]oxybenzoate
CID 68732205
benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate
CID 139747714
benzyl 4-[[(5-methyl-4,5-dihydroimidazole-1-carbonyl)amino]methyl]benzoate
CID 142100818
4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-3-methyl-4-oxoazetidin-2-yl]oxybenzoic acid
CID 10429981
4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid
CID 10479667
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10093833
benzyl 4-[(cyclopropylamino)methyl]benzoate
CID 138498071
benzyl 4-[(pentylamino)methyl]benzoate
CID 167312129

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate?
The IUPAC name of benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate (CID 10458654) is benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate.
What is the SMILES notation for benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate?
The canonical SMILES for benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate is CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1OCc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate?
The InChIKey is CPMXYIIQKYYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(29(35)31-19-22-11-7-5-8-12-22)28(30)37-21-24-15-17-25(18-16-24)26(33)36-20-23-13-9-6-10-14-23/h5-18,28H,3-4,19-21H2,1-2H3,(H,31,35).
What are the key properties of benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate?
benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate has a molecular weight of 500.60 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate is sourced from PubChem (CID 10458654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).