tert-butyl N-ethyl-N-(2-oxoethyl)carbamate

C9H17NO3 — CID 18354425

IUPACtert-butyl N-ethyl-N-(2-oxoethyl)carbamate
SMILESCCN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-5-10(6-7-11)8(12)13-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyFUPPSSYQZOOVBZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl N-ethyl-N-(2-oxoethyl)carbamate

tert-butyl N-ethyl-N-(2-oxoethyl)carbamate (PubChem CID 18354425) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-oxoethyl)carbamate
PubChem CID18354425
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl N-ethyl-N-(2-oxoethyl)carbamate
SMILESCCN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-5-10(6-7-11)8(12)13-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyFUPPSSYQZOOVBZ-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-oxoethyl)carbamate (CID 18354425) is tert-butyl N-ethyl-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-oxoethyl)carbamate is CCN(CC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-oxoethyl)carbamate?
The InChIKey is FUPPSSYQZOOVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-10(6-7-11)8(12)13-9(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(2-oxoethyl)carbamate?
tert-butyl N-ethyl-N-(2-oxoethyl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.44, 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-(2-oxoethyl)carbamate is sourced from PubChem (CID 18354425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).