tert-butyl N-(3-phenylcyclohexyl)carbamate

C17H25NO2 — CID 139378072

IUPACtert-butyl N-(3-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyXQAHBUOMOUOURC-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl N-(3-phenylcyclohexyl)carbamate

tert-butyl N-(3-phenylcyclohexyl)carbamate (PubChem CID 139378072) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl N-(3-phenylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-phenylcyclohexyl)carbamate
PubChem CID139378072
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-(3-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(c2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyXQAHBUOMOUOURC-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-phenylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(3-phenylcyclohexyl)carbamate (CID 139378072) is tert-butyl N-(3-phenylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-phenylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-phenylcyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCC(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-(3-phenylcyclohexyl)carbamate?
The InChIKey is XQAHBUOMOUOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(3-phenylcyclohexyl)carbamate?
tert-butyl N-(3-phenylcyclohexyl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-phenylcyclohexyl)carbamate is sourced from PubChem (CID 139378072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).