N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide

C16H28N2O2 — CID 61230377

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide
SMILESCCCN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O2/c1-2-7-18(16(19)12-5-8-20-9-6-12)15-10-13-3-4-14(11-15)17-13/h12-15,17H,2-11H2,1H3
InChIKeyBQIIXKBURDKYTC-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide (PubChem CID 61230377) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide
PubChem CID61230377
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide
SMILESCCCN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O2/c1-2-7-18(16(19)12-5-8-20-9-6-12)15-10-13-3-4-14(11-15)17-13/h12-15,17H,2-11H2,1H3
InChIKeyBQIIXKBURDKYTC-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide (CID 61230377) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide is CCCN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide?
The InChIKey is BQIIXKBURDKYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-7-18(16(19)12-5-8-20-9-6-12)15-10-13-3-4-14(11-15)17-13/h12-15,17H,2-11H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyloxane-4-carboxamide is sourced from PubChem (CID 61230377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).