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

C18H24N2O3 — CID 86281286

IUPAC(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@H]1NC(=O)OCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/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/h7-10,12,14,16H,2-6,11H2,1H3,(H,19,21)(H,20,22)/t12-,16+/m1/s1
InChIKeyVZQITVFWPODVAA-WBMJQRKESA-N
MW316.40 g/mol
LogP2.85
Rot. Bonds4

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

(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate (PubChem CID 86281286) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
PubChem CID86281286
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@H]1NC(=O)OCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/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/h7-10,12,14,16H,2-6,11H2,1H3,(H,19,21)(H,20,22)/t12-,16+/m1/s1
InChIKeyVZQITVFWPODVAA-WBMJQRKESA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.85
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-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
(4-cyclohexylphenyl)methyl-[(2S,3R)-2-methyl-4-oxoazetidin-3-yl]carbamic acid
CID 90423997
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 127025421
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene
CID 91381160
(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate
CID 142044070
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate (CID 86281286) is (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4-cyclohexylphenyl)methyl N-[(2R,3S)-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-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The InChIKey is VZQITVFWPODVAA-WBMJQRKESA-N. The full InChI is InChI=1S/C18H24N2O3/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/h7-10,12,14,16H,2-6,11H2,1H3,(H,19,21)(H,20,22)/t12-,16+/m1/s1.
What are the key properties of (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 86281286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).