tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate

C11H23NO4 — CID 89426613

IUPACtert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate
SMILESCC(CCNC(=O)OC(C)(C)C)OCCO
InChIInChI=1S/C11H23NO4/c1-9(15-8-7-13)5-6-12-10(14)16-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyMCNFSDQBDSMNHT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds6

About tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate

tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate (PubChem CID 89426613) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate
PubChem CID89426613
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate
SMILESCC(CCNC(=O)OC(C)(C)C)OCCO
InChIInChI=1S/C11H23NO4/c1-9(15-8-7-13)5-6-12-10(14)16-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyMCNFSDQBDSMNHT-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[3-cyano-3-(2-hydroxyethylamino)propyl]carbamate
CID 102730779
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate (CID 89426613) is tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate is CC(CCNC(=O)OC(C)(C)C)OCCO.
What is the InChIKey of tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate?
The InChIKey is MCNFSDQBDSMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(15-8-7-13)5-6-12-10(14)16-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate?
tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-hydroxyethoxy)butyl]carbamate is sourced from PubChem (CID 89426613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).