tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate

C10H21NO3 — CID 14925143

IUPACtert-butyl N-(2-hydroxyethyl)-N-propylcarbamate
SMILESCCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyFVLOTNCJFRUPFT-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate

tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate (PubChem CID 14925143) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-propylcarbamate
PubChem CID14925143
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-propylcarbamate
SMILESCCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyFVLOTNCJFRUPFT-UHFFFAOYSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate (CID 14925143) is tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate is CCCN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate?
The InChIKey is FVLOTNCJFRUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h12H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate?
tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-propylcarbamate is sourced from PubChem (CID 14925143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).