(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

C17H16N2O3 — CID 140705550

IUPAC(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)Oc1cccc(-c2ccccc2)c1)[C@H]1CNC1=O
InChIInChI=1S/C17H16N2O3/c1-19(15-11-18-16(15)20)17(21)22-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeySMJMDPDGPLUCOM-HNNXBMFYSA-N
MW296.33 g/mol
LogP2.28
Rot. Bonds3

About (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 140705550) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID140705550
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)Oc1cccc(-c2ccccc2)c1)[C@H]1CNC1=O
InChIInChI=1S/C17H16N2O3/c1-19(15-11-18-16(15)20)17(21)22-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeySMJMDPDGPLUCOM-HNNXBMFYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 140705550) is (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is CN(C(=O)Oc1cccc(-c2ccccc2)c1)[C@H]1CNC1=O.
What is the InChIKey of (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is SMJMDPDGPLUCOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19(15-11-18-16(15)20)17(21)22-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 296.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 140705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).