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

C18H18N2O3 — CID 140705537

IUPAC(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@@H]1N(C)C(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20(2)18(22)23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,21)/t12-,16-/m1/s1
InChIKeyWPYPISOGCPBVLN-MLGOLLRUSA-N
MW310.35 g/mol
LogP2.67
Rot. Bonds3

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

(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate (PubChem CID 140705537) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
PubChem CID140705537
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@@H]1N(C)C(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20(2)18(22)23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,21)/t12-,16-/m1/s1
InChIKeyWPYPISOGCPBVLN-MLGOLLRUSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 140705550
(6-phenyl-3-pyridinyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746508
[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746516
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
CID 54188372
(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 140705543
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 2312425
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate (CID 140705537) is (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate is C[C@H]1NC(=O)[C@@H]1N(C)C(=O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The InChIKey is WPYPISOGCPBVLN-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-16(17(21)19-12)20(2)18(22)23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16H,1-2H3,(H,19,21)/t12-,16-/m1/s1.
What are the key properties of (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate?
(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 140705537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).