tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate

C12H23NO3 — CID 63789222

IUPACtert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCN(CC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMGIBHUYXBKYYEA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds3

About tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate

tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate (PubChem CID 63789222) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
PubChem CID63789222
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCN(CC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyMGIBHUYXBKYYEA-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate (CID 63789222) is tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate is CCN(CC1CCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is MGIBHUYXBKYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 63789222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).