methyl N-tert-butyl-N-(oxan-4-yl)carbamate

C11H21NO3 — CID 23087104

IUPACmethyl N-tert-butyl-N-(oxan-4-yl)carbamate
SMILESCOC(=O)N(C1CCOCC1)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-11(2,3)12(10(13)14-4)9-5-7-15-8-6-9/h9H,5-8H2,1-4H3
InChIKeySBNVGJTVIZKYFB-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.03
Rot. Bonds1

About methyl N-tert-butyl-N-(oxan-4-yl)carbamate

methyl N-tert-butyl-N-(oxan-4-yl)carbamate (PubChem CID 23087104) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-tert-butyl-N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-(oxan-4-yl)carbamate
PubChem CID23087104
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-tert-butyl-N-(oxan-4-yl)carbamate
SMILESCOC(=O)N(C1CCOCC1)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-11(2,3)12(10(13)14-4)9-5-7-15-8-6-9/h9H,5-8H2,1-4H3
InChIKeySBNVGJTVIZKYFB-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-(oxan-4-yl)carbamate?
The IUPAC name of methyl N-tert-butyl-N-(oxan-4-yl)carbamate (CID 23087104) is methyl N-tert-butyl-N-(oxan-4-yl)carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-(oxan-4-yl)carbamate?
The canonical SMILES for methyl N-tert-butyl-N-(oxan-4-yl)carbamate is COC(=O)N(C1CCOCC1)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-(oxan-4-yl)carbamate?
The InChIKey is SBNVGJTVIZKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)12(10(13)14-4)9-5-7-15-8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of methyl N-tert-butyl-N-(oxan-4-yl)carbamate?
methyl N-tert-butyl-N-(oxan-4-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-(oxan-4-yl)carbamate is sourced from PubChem (CID 23087104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).