tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate

C15H27NO3 — CID 68779552

IUPACtert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate
SMILESCN(CCC(=O)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h12H,5-11H2,1-4H3
InChIKeyPQTJQRVNUGGENF-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.39
Rot. Bonds4

About tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate

tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate (PubChem CID 68779552) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate
PubChem CID68779552
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate
SMILESCN(CCC(=O)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h12H,5-11H2,1-4H3
InChIKeyPQTJQRVNUGGENF-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate (CID 68779552) is tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate is CN(CCC(=O)C1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate?
The InChIKey is PQTJQRVNUGGENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16(4)11-10-13(17)12-8-6-5-7-9-12/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate?
tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate has a molecular weight of 269.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclohexyl-3-oxopropyl)-N-methylcarbamate is sourced from PubChem (CID 68779552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).