[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate

C19H28N2O4 — CID 123312806

IUPAC[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)21-18(22)25-15-11-14(12-15)24-17-16(5-4-8-20-17)13-6-9-23-10-7-13/h4-5,8,13-15H,6-7,9-12H2,1-3H3,(H,21,22)
InChIKeyQNBWCPZFAVDEFP-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.41
Rot. Bonds4

About [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate

[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate (PubChem CID 123312806) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
PubChem CID123312806
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)21-18(22)25-15-11-14(12-15)24-17-16(5-4-8-20-17)13-6-9-23-10-7-13/h4-5,8,13-15H,6-7,9-12H2,1-3H3,(H,21,22)
InChIKeyQNBWCPZFAVDEFP-UHFFFAOYSA-N
XLogP3.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate (CID 123312806) is [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
The InChIKey is QNBWCPZFAVDEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)21-18(22)25-15-11-14(12-15)24-17-16(5-4-8-20-17)13-6-9-23-10-7-13/h4-5,8,13-15H,6-7,9-12H2,1-3H3,(H,21,22).
What are the key properties of [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate?
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate has a molecular weight of 348.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 123312806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).