tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate

C10H21NO3 — CID 123715401

IUPACtert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CO
InChIInChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyHFIKUOZDGGQFQZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate

tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 123715401) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate
PubChem CID123715401
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CO
InChIInChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyHFIKUOZDGGQFQZ-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate (CID 123715401) is tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate is CCN(C(=O)OC(C)(C)C)C(C)CO.
What is the InChIKey of tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is HFIKUOZDGGQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-11(8(2)7-12)9(13)14-10(3,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate?
tert-butyl N-ethyl-N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.62, 3 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-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 123715401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).