benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate

C30H32N2O5 — CID 139747714

IUPACbenzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate
SMILESCCC1(CC)C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)C1OCC(=O)OCc1ccccc1
InChIInChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(28(30)37-21-25(33)36-20-22-14-8-5-9-15-22)29(35)31-26(23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,26,28H,3-4,20-21H2,1-2H3,(H,31,35)
InChIKeyILUJUJOYGCIDHB-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.22
Rot. Bonds10

About benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate

benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate (PubChem CID 139747714) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate.

Molecular Properties

Compound Namebenzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate
PubChem CID139747714
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Namebenzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate
SMILESCCC1(CC)C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)C1OCC(=O)OCc1ccccc1
InChIInChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(28(30)37-21-25(33)36-20-22-14-8-5-9-15-22)29(35)31-26(23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,26,28H,3-4,20-21H2,1-2H3,(H,31,35)
InChIKeyILUJUJOYGCIDHB-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyphenyl]acetic acid
CID 139666077
benzyl 4-[[1-(benzylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxymethyl]benzoate
CID 10458654
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489
tert-butyl 2-[3,3-diethyl-4-oxo-1-[3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoyl]azetidin-2-yl]oxyacetate
CID 139747715
(1-oxo-1-phenylmethoxypropan-2-yl) 4-[(2S)-3,3-diethyl-1-[[(1S)-1-(4-methylphenyl)butyl]carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate
CID 57322201
tert-butyl 2-[4-[3,3-diethyl-4-oxo-1-[3-(phenylmethoxycarbonylamino)propylcarbamoyl]azetidin-2-yl]oxyphenyl]acetate
CID 139666072
benzyl 3-[2-[[2-[(2S)-3,3-diethyl-1-[2-[[(1R)-1-(4-methylphenyl)butyl]amino]-2-oxoethyl]-4-oxoazetidin-2-yl]oxyacetyl]-ethylamino]ethylamino]propanoate
CID 139679060
benzyl N-[(2S)-1-(benzhydrylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 18667067
2-[2-[2-[di(propan-2-yl)amino]ethyl-ethylamino]-2-oxoethoxy]-3,3-diethyl-N-[(1R)-1-(4-methylphenyl)butyl]-4-oxoazetidine-1-carboxamide
CID 70067672
benzyl 3,4-dimethylhexanoate
CID 123356915
(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 134410908
benzyl propanoate;hydrochloride
CID 140986165

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate?
The IUPAC name of benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate (CID 139747714) is benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate.
What is the SMILES notation for benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate?
The canonical SMILES for benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate is CCC1(CC)C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)C1OCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate?
The InChIKey is ILUJUJOYGCIDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-3-30(4-2)27(34)32(28(30)37-21-25(33)36-20-22-14-8-5-9-15-22)29(35)31-26(23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,26,28H,3-4,20-21H2,1-2H3,(H,31,35).
What are the key properties of benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate?
benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate has a molecular weight of 500.60 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-(benzhydrylcarbamoyl)-3,3-diethyl-4-oxoazetidin-2-yl]oxyacetate is sourced from PubChem (CID 139747714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).