N-butyl-N,2,6-trimethylmorpholine-4-carboxamide

C12H24N2O2 — CID 15136653

IUPACN-butyl-N,2,6-trimethylmorpholine-4-carboxamide
SMILESCCCCN(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O2/c1-5-6-7-13(4)12(15)14-8-10(2)16-11(3)9-14/h10-11H,5-9H2,1-4H3
InChIKeyKJDLTKACPVKTGT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.95
Rot. Bonds3

About N-butyl-N,2,6-trimethylmorpholine-4-carboxamide

N-butyl-N,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 15136653) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-N,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2,6-trimethylmorpholine-4-carboxamide
PubChem CID15136653
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-N,2,6-trimethylmorpholine-4-carboxamide
SMILESCCCCN(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O2/c1-5-6-7-13(4)12(15)14-8-10(2)16-11(3)9-14/h10-11H,5-9H2,1-4H3
InChIKeyKJDLTKACPVKTGT-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-butyl-N,2,6-trimethylmorpholine-4-carboxamide (CID 15136653) is N-butyl-N,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-butyl-N,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-butyl-N,2,6-trimethylmorpholine-4-carboxamide is CCCCN(C)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-butyl-N,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is KJDLTKACPVKTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-6-7-13(4)12(15)14-8-10(2)16-11(3)9-14/h10-11H,5-9H2,1-4H3.
What are the key properties of N-butyl-N,2,6-trimethylmorpholine-4-carboxamide?
N-butyl-N,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 15136653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).