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

C12H23N3O4 — CID 87410011

IUPACtert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate
SMILESCCNC(=O)CN(C(=O)CNC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-14-9(16)8-15(10(17)7-13-5)11(18)19-12(2,3)4/h13H,6-8H2,1-5H3,(H,14,16)
InChIKeyCVDDEXUFRDZVDW-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.11
Rot. Bonds5

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

tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate (PubChem CID 87410011) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate
PubChem CID87410011
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nametert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate
SMILESCCNC(=O)CN(C(=O)CNC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-14-9(16)8-15(10(17)7-13-5)11(18)19-12(2,3)4/h13H,6-8H2,1-5H3,(H,14,16)
InChIKeyCVDDEXUFRDZVDW-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate?
The IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate (CID 87410011) is tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate is CCNC(=O)CN(C(=O)CNC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate?
The InChIKey is CVDDEXUFRDZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-6-14-9(16)8-15(10(17)7-13-5)11(18)19-12(2,3)4/h13H,6-8H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate?
tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate has a molecular weight of 273.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(ethylamino)-2-oxoethyl]-N-[2-(methylamino)acetyl]carbamate is sourced from PubChem (CID 87410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).