tert-butyl N-ethylcarbamate

C7H15NO2 — CID 11198486

IUPACtert-butyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3,(H,8,9)
InChIKeyISTGQSQWSKCNFJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.53
Rot. Bonds1

About tert-butyl N-ethylcarbamate

tert-butyl N-ethylcarbamate (PubChem CID 11198486) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is tert-butyl N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-ethylcarbamate
PubChem CID11198486
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nametert-butyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3,(H,8,9)
InChIKeyISTGQSQWSKCNFJ-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethylcarbamate?
The IUPAC name of tert-butyl N-ethylcarbamate (CID 11198486) is tert-butyl N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-ethylcarbamate?
The canonical SMILES for tert-butyl N-ethylcarbamate is CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethylcarbamate?
The InChIKey is ISTGQSQWSKCNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3,(H,8,9).
What are the key properties of tert-butyl N-ethylcarbamate?
tert-butyl N-ethylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethylcarbamate is sourced from PubChem (CID 11198486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).