tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate

C15H29NO4 — CID 21062235

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate
SMILESCCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8-11H2,1-7H3
InChIKeyHGCKWERLDKWOIY-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate (PubChem CID 21062235) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate
PubChem CID21062235
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate
SMILESCCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8-11H2,1-7H3
InChIKeyHGCKWERLDKWOIY-UHFFFAOYSA-N
XLogP4.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate (CID 21062235) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate is CCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate?
The InChIKey is HGCKWERLDKWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8-11H2,1-7H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate has a molecular weight of 287.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-pentylcarbamate is sourced from PubChem (CID 21062235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).