(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate

C18H18N2O3 — CID 86281418

IUPAC(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20-18(22)23-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22)/t12-,16-/m1/s1
InChIKeyOMRLEUFDWSDOTR-MLGOLLRUSA-N
MW310.35 g/mol
LogP2.47
Rot. Bonds4

About (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate

(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate (PubChem CID 86281418) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
PubChem CID86281418
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20-18(22)23-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22)/t12-,16-/m1/s1
InChIKeyOMRLEUFDWSDOTR-MLGOLLRUSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281286
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
(4-phenylphenyl)methyl N-[(2S,3S)-2-tert-butyl-4-oxooxetan-3-yl]carbamate
CID 134152906
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2S)-1-[[(2S,3S)-2-(1-bromoethoxy)-4-oxoazetidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70097158
(4-phenylphenyl)methyl carbamate
CID 123751479
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate (CID 86281418) is (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate is C[C@H]1NC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The InChIKey is OMRLEUFDWSDOTR-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20-18(22)23-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)(H,20,22)/t12-,16-/m1/s1.
What are the key properties of (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 86281418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).