tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate

C11H23NO3 — CID 11672972

IUPACtert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyLLCYWHXMBXMVAS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate

tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate (PubChem CID 11672972) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
PubChem CID11672972
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyLLCYWHXMBXMVAS-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate (CID 11672972) is tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate is CC(C)N(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
The InChIKey is LLCYWHXMBXMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)12(7-6-8-13)10(14)15-11(3,4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 11672972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).