tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate

C14H27NO3 — CID 54120232

IUPACtert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(CCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(4)12-7-5-11(6-8-12)9-10-16/h11-12,16H,5-10H2,1-4H3
InChIKeyNNEGUYSNEDSFIN-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate (PubChem CID 54120232) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
PubChem CID54120232
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(CCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(4)12-7-5-11(6-8-12)9-10-16/h11-12,16H,5-10H2,1-4H3
InChIKeyNNEGUYSNEDSFIN-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate (CID 54120232) is tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(CCO)CC1.
What is the InChIKey of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The InChIKey is NNEGUYSNEDSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(4)12-7-5-11(6-8-12)9-10-16/h11-12,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate has a molecular weight of 257.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 54120232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).