tert-butyl N-ethyl-N-methylcarbamate

C8H17NO2 — CID 14271611

IUPACtert-butyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6-9(5)7(10)11-8(2,3)4/h6H2,1-5H3
InChIKeyLDPZRDDGSNDUNX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl N-ethyl-N-methylcarbamate

tert-butyl N-ethyl-N-methylcarbamate (PubChem CID 14271611) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-methylcarbamate
PubChem CID14271611
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6-9(5)7(10)11-8(2,3)4/h6H2,1-5H3
InChIKeyLDPZRDDGSNDUNX-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-methylcarbamate?
The IUPAC name of tert-butyl N-ethyl-N-methylcarbamate (CID 14271611) is tert-butyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-methylcarbamate?
The InChIKey is LDPZRDDGSNDUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-9(5)7(10)11-8(2,3)4/h6H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-methylcarbamate?
tert-butyl N-ethyl-N-methylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 14271611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).