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

C14H27NO3 — CID 22397310

IUPACtert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(10-7-11-16)12-8-5-4-6-9-12/h12,16H,4-11H2,1-3H3
InChIKeyCYUODDDPZDWKFV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.94
Rot. Bonds4

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

tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate (PubChem CID 22397310) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate
PubChem CID22397310
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO)C1CCCCC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(10-7-11-16)12-8-5-4-6-9-12/h12,16H,4-11H2,1-3H3
InChIKeyCYUODDDPZDWKFV-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate (CID 22397310) is tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate is CC(C)(C)OC(=O)N(CCCO)C1CCCCC1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate?
The InChIKey is CYUODDDPZDWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(10-7-11-16)12-8-5-4-6-9-12/h12,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate?
tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 22397310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).