tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate

C11H22N2O5 — CID 127108190

IUPACtert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(CCO)CCO
InChIInChI=1S/C11H22N2O5/c1-11(2,3)18-10(17)12-8-9(16)13(4-6-14)5-7-15/h14-15H,4-8H2,1-3H3,(H,12,17)
InChIKeyRXGRCQGNDXJFLA-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.68
Rot. Bonds6

About tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate (PubChem CID 127108190) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
PubChem CID127108190
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Nametert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(CCO)CCO
InChIInChI=1S/C11H22N2O5/c1-11(2,3)18-10(17)12-8-9(16)13(4-6-14)5-7-15/h14-15H,4-8H2,1-3H3,(H,12,17)
InChIKeyRXGRCQGNDXJFLA-UHFFFAOYSA-N
XLogP-0.68
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
CID 141407749
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
tert-butyl N-(2-hydroxyethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 11849566
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
CID 148691344
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 60742338
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
CID 24689070
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate (CID 127108190) is tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N(CCO)CCO.
What is the InChIKey of tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate?
The InChIKey is RXGRCQGNDXJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-11(2,3)18-10(17)12-8-9(16)13(4-6-14)5-7-15/h14-15H,4-8H2,1-3H3,(H,12,17).
What are the key properties of tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 127108190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).