tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate

C14H27NO3 — CID 19840698

IUPACtert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)CCC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(16)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyWBAXJQUSYNMZLR-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate

tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate (PubChem CID 19840698) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate
PubChem CID19840698
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(O)CCC1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(16)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyWBAXJQUSYNMZLR-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate (CID 19840698) is tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NC(O)CCC1CCCCC1.
What is the InChIKey of tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate?
The InChIKey is WBAXJQUSYNMZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(16)10-9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate?
tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclohexyl-1-hydroxypropyl)carbamate is sourced from PubChem (CID 19840698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).