tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate

C22H26N2O3 — CID 68873303

IUPACtert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)c1ccccc1-c1ccccc1)C1CCN1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-19(18-13-14-23-18)20(25)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,18-19,23H,13-14H2,1-3H3,(H,24,26)
InChIKeyZLJKQLLNMNWZNF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate

tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate (PubChem CID 68873303) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate
PubChem CID68873303
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)c1ccccc1-c1ccccc1)C1CCN1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-19(18-13-14-23-18)20(25)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,18-19,23H,13-14H2,1-3H3,(H,24,26)
InChIKeyZLJKQLLNMNWZNF-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
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2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 19385930
(2S,7S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooct-4-ynoic acid
CID 51031698
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
(2S)-3-(2-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762267
(2S)-2-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 138046332
9H-fluoren-9-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10961226
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] benzoate
CID 162695583
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate (CID 68873303) is tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NC(C(=O)c1ccccc1-c1ccccc1)C1CCN1.
What is the InChIKey of tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate?
The InChIKey is ZLJKQLLNMNWZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)27-21(26)24-19(18-13-14-23-18)20(25)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,18-19,23H,13-14H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate?
tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(azetidin-2-yl)-2-oxo-2-(2-phenylphenyl)ethyl]carbamate is sourced from PubChem (CID 68873303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).