tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate

C11H23NO4 — CID 140978282

IUPACtert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
SMILESCCC(O)CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-9(14)8-12(6-7-13)10(15)16-11(2,3)4/h9,13-14H,5-8H2,1-4H3
InChIKeyOEZNHHLCTDHXJZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.99
Rot. Bonds5

About tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate

tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 140978282) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
PubChem CID140978282
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
SMILESCCC(O)CN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-9(14)8-12(6-7-13)10(15)16-11(2,3)4/h9,13-14H,5-8H2,1-4H3
InChIKeyOEZNHHLCTDHXJZ-UHFFFAOYSA-N
XLogP0.99
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 163209491
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate (CID 140978282) is tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate is CCC(O)CN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is OEZNHHLCTDHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-9(14)8-12(6-7-13)10(15)16-11(2,3)4/h9,13-14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate?
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 140978282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).