tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

C14H28N2O5 — CID 22741532

IUPACtert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-13(2,3)20-11(18)15-7-8-16(9-10-17)12(19)21-14(4,5)6/h17H,7-10H2,1-6H3,(H,15,18)
InChIKeyAIUKWIFZPQMOBA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds5

About tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (PubChem CID 22741532) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
PubChem CID22741532
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O5/c1-13(2,3)20-11(18)15-7-8-16(9-10-17)12(19)21-14(4,5)6/h17H,7-10H2,1-6H3,(H,15,18)
InChIKeyAIUKWIFZPQMOBA-UHFFFAOYSA-N
XLogP1.74
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (CID 22741532) is tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The InChIKey is AIUKWIFZPQMOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-13(2,3)20-11(18)15-7-8-16(9-10-17)12(19)21-14(4,5)6/h17H,7-10H2,1-6H3,(H,15,18).
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is sourced from PubChem (CID 22741532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).