[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate

C18H24N2O3 — CID 118915551

IUPAC[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESC[C@H](OC(=O)N[C@H]1CNC1=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-12(23-18(22)20-16-11-19-17(16)21)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-/m0/s1
InChIKeyZTNONFIVPAHTCB-LRDDRELGSA-N
MW316.40 g/mol
LogP3.02
Rot. Bonds4

About [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate

[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 118915551) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID118915551
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESC[C@H](OC(=O)N[C@H]1CNC1=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-12(23-18(22)20-16-11-19-17(16)21)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-/m0/s1
InChIKeyZTNONFIVPAHTCB-LRDDRELGSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 118915551) is [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate is C[C@H](OC(=O)N[C@H]1CNC1=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is ZTNONFIVPAHTCB-LRDDRELGSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(23-18(22)20-16-11-19-17(16)21)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-/m0/s1.
What are the key properties of [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate?
[(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-cyclohexylphenyl)ethyl] N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 118915551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).