tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate

C9H18N2O4 — CID 125496778

IUPACtert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
SMILESCN(C(=O)NCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11(4)7(13)10-5-6-12/h12H,5-6H2,1-4H3,(H,10,13)
InChIKeyUDSGROXXADRBKG-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.56
Rot. Bonds2

About tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate

tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate (PubChem CID 125496778) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
PubChem CID125496778
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
SMILESCN(C(=O)NCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11(4)7(13)10-5-6-12/h12H,5-6H2,1-4H3,(H,10,13)
InChIKeyUDSGROXXADRBKG-UHFFFAOYSA-N
XLogP0.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyethyl)-1-methoxy-1-methylurea
CID 89140383
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 161081619
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
CID 102192656
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
CID 88764486
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
tert-butyl N-(2-hydroxyethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 11849566
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate (CID 125496778) is tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate is CN(C(=O)NCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate?
The InChIKey is UDSGROXXADRBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11(4)7(13)10-5-6-12/h12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate?
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate has a molecular weight of 218.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate is sourced from PubChem (CID 125496778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).