tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate

C14H26N2O3 — CID 142180276

IUPACtert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
SMILESC[C@H](NC(=O)NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(11-8-6-5-7-9-11)15-12(17)16-13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyOFLNEWFGSACESF-JTQLQIEISA-N
MW270.37 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate

tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate (PubChem CID 142180276) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
PubChem CID142180276
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
SMILESC[C@H](NC(=O)NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(11-8-6-5-7-9-11)15-12(17)16-13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKeyOFLNEWFGSACESF-JTQLQIEISA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate (CID 142180276) is tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate is C[C@H](NC(=O)NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate?
The InChIKey is OFLNEWFGSACESF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(11-8-6-5-7-9-11)15-12(17)16-13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate?
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate is sourced from PubChem (CID 142180276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).