ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

C8H16N2O3 — CID 58803032

IUPACethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)9-5-7(11)10-6(2)3/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyFUBPSOCIAGJGPK-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds4

About ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 58803032) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID58803032
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C8H16N2O3/c1-4-13-8(12)9-5-7(11)10-6(2)3/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyFUBPSOCIAGJGPK-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 58803032) is ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CCOC(=O)NCC(=O)NC(C)C.
What is the InChIKey of ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is FUBPSOCIAGJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-13-8(12)9-5-7(11)10-6(2)3/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 58803032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).