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

C9H19NO3 — CID 23093478

IUPACethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-13-8(12)10(6-7-11)9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyHWCJFFQLJLIFFC-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.24
Rot. Bonds3

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

ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (PubChem CID 23093478) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
PubChem CID23093478
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-13-8(12)10(6-7-11)9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyHWCJFFQLJLIFFC-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol
CID 545700
N-Boc-diethanolamine
CID 4360601
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcarbamate
CID 86627905
tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate
CID 123715401
tert-Butyl (2-hydroxyethyl)(prop-2-yn-1-yl)carbamate
CID 11672867
N-Boc-N-(2-fluoroethyl)-2-hydroxyethylamine
CID 89141829
Tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid
CID 118453590
Tert-butyl (3-fluoropropyl)(2-hydroxyethyl)carbamate
CID 134192595
2-methylpropyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483481
2-methylpropyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107483486
tert-butyl N-[3-[2-hydroxyethyl(methyl)amino]propyl]-N-methylcarbamate
CID 50994374
tert-butyl N-tert-butyl-N-(3-hydroxypropyl)carbamate
CID 10353841

Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (CID 23093478) is ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is CCOC(=O)N(CCO)C(C)(C)C.
What is the InChIKey of ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is HWCJFFQLJLIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-13-8(12)10(6-7-11)9(2,3)4/h11H,5-7H2,1-4H3.
What are the key properties of ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 189.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 23093478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).