N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide

C16H30N2O2 — CID 24832217

IUPACN,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide
SMILESCCN(CC)C(=O)CNC1CC2CCC1(C)OC2(C)C
InChIInChI=1S/C16H30N2O2/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)20-15(12,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyFFWXVAYFQORSRT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds5

About N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide

N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide (PubChem CID 24832217) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide
PubChem CID24832217
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide
SMILESCCN(CC)C(=O)CNC1CC2CCC1(C)OC2(C)C
InChIInChI=1S/C16H30N2O2/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)20-15(12,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyFFWXVAYFQORSRT-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide (CID 24832217) is N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide is CCN(CC)C(=O)CNC1CC2CCC1(C)OC2(C)C.
What is the InChIKey of N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide?
The InChIKey is FFWXVAYFQORSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)20-15(12,3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide?
N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide is sourced from PubChem (CID 24832217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).