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

C14H24N2O2 — CID 61233336

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O2/c1-16(14(17)10-4-6-18-7-5-10)13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3
InChIKeyNVXUARDDAOPEOE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide (PubChem CID 61233336) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide
PubChem CID61233336
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O2/c1-16(14(17)10-4-6-18-7-5-10)13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3
InChIKeyNVXUARDDAOPEOE-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
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-methyloxane-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide (CID 61233336) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide is CN(C(=O)C1CCOCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide?
The InChIKey is NVXUARDDAOPEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(14(17)10-4-6-18-7-5-10)13-8-11-2-3-12(9-13)15-11/h10-13,15H,2-9H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyloxane-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.15, 2 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-methyloxane-4-carboxamide is sourced from PubChem (CID 61233336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).