tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate

C9H18N2O3 — CID 57248348

IUPACtert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyYNZCVFHYMKPLJM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds3

About tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate (PubChem CID 57248348) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate
PubChem CID57248348
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyYNZCVFHYMKPLJM-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate (CID 57248348) is tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate is CCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
The InChIKey is YNZCVFHYMKPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-10-7(12)6-11-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,10,12)(H,11,13).
What are the key properties of tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(ethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 57248348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).