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

C17H22N2O3 — CID 127025421

IUPAC(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=O)OCc1cccc(C2CCCCC2)c1
InChIInChI=1S/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyKOPJRUUOULUFFJ-HNNXBMFYSA-N
MW302.37 g/mol
LogP2.46
Rot. Bonds4

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

(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 127025421) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID127025421
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNC1=O)OCc1cccc(C2CCCCC2)c1
InChIInChI=1S/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyKOPJRUUOULUFFJ-HNNXBMFYSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
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CID 88772360
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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 127025421) is (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is O=C(N[C@H]1CNC1=O)OCc1cccc(C2CCCCC2)c1.
What is the InChIKey of (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is KOPJRUUOULUFFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h4-5,8-9,13,15H,1-3,6-7,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
(3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 127025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).