tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate

C23H28N2O4 — CID 3988979

IUPACtert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(COCc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-19-14-25(21(19)26)20(18-12-8-5-9-13-18)16-28-15-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,24,27)
InChIKeyGLUSPJZPCOCKFA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.68
Rot. Bonds7

About tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate

tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate (PubChem CID 3988979) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate
PubChem CID3988979
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(COCc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-19-14-25(21(19)26)20(18-12-8-5-9-13-18)16-28-15-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,24,27)
InChIKeyGLUSPJZPCOCKFA-UHFFFAOYSA-N
XLogP3.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
benzyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate
CID 14666416
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
(4-nitrophenyl)methyl 2-(benzenesulfonyl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]acetate
CID 15416782
tert-butyl N-[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 124545804
benzhydryl (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]-2-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]acetate
CID 86737994
(4-nitrophenyl)methyl 2-fluoro-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]acetate
CID 15416776
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate (CID 3988979) is tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(C(COCc2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate?
The InChIKey is GLUSPJZPCOCKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-19-14-25(21(19)26)20(18-12-8-5-9-13-18)16-28-15-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate?
tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 3988979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).