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

C9H18N2O4 — CID 88940321

IUPACtert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
SMILESCCNC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-10-7(12)6-14-11-8(13)15-9(2,3)4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeySQULUOITJBHUDP-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.58
Rot. Bonds4

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

tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate (PubChem CID 88940321) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
PubChem CID88940321
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
SMILESCCNC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-10-7(12)6-14-11-8(13)15-9(2,3)4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeySQULUOITJBHUDP-UHFFFAOYSA-N
XLogP0.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
CID 134514742
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 121257831
tert-butyl 2-(ethylcarbamoylamino)oxyacetate
CID 86658798
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
methyl 2-[2-[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 146808524
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 153344874
(2S)-5-amino-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]-5-oxopentanoic acid
CID 153392866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate (CID 88940321) is tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate is CCNC(=O)CONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate?
The InChIKey is SQULUOITJBHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-5-10-7(12)6-14-11-8(13)15-9(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-oxoethoxy]carbamate?
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate is sourced from PubChem (CID 88940321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).