tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate

C11H23NO3 — CID 87693866

IUPACtert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
SMILESCCN(CCCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-12(8-6-7-9-13)10(14)15-11(2,3)4/h13H,5-9H2,1-4H3
InChIKeyYXYVTLVYYAQEIW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.02
Rot. Bonds5

About tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate

tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate (PubChem CID 87693866) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
PubChem CID87693866
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
SMILESCCN(CCCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-12(8-6-7-9-13)10(14)15-11(2,3)4/h13H,5-9H2,1-4H3
InChIKeyYXYVTLVYYAQEIW-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-(4-hydroxybutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 11237430
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
ethyl 2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86655973
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate (CID 87693866) is tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate is CCN(CCCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate?
The InChIKey is YXYVTLVYYAQEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-12(8-6-7-9-13)10(14)15-11(2,3)4/h13H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate?
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate is sourced from PubChem (CID 87693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).