N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide

C11H18N2O3 — CID 108913128

IUPACN-(oxan-4-ylidenemethyl)morpholine-4-carboxamide
SMILESO=C(NC=C1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H18N2O3/c14-11(13-3-7-16-8-4-13)12-9-10-1-5-15-6-2-10/h9H,1-8H2,(H,12,14)
InChIKeyDTJISDABQQCKJM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.72
Rot. Bonds1

About N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide

N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide (PubChem CID 108913128) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylidenemethyl)morpholine-4-carboxamide
PubChem CID108913128
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(oxan-4-ylidenemethyl)morpholine-4-carboxamide
SMILESO=C(NC=C1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H18N2O3/c14-11(13-3-7-16-8-4-13)12-9-10-1-5-15-6-2-10/h9H,1-8H2,(H,12,14)
InChIKeyDTJISDABQQCKJM-UHFFFAOYSA-N
XLogP0.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide?
The IUPAC name of N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide (CID 108913128) is N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide is O=C(NC=C1CCOCC1)N1CCOCC1.
What is the InChIKey of N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide?
The InChIKey is DTJISDABQQCKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-11(13-3-7-16-8-4-13)12-9-10-1-5-15-6-2-10/h9H,1-8H2,(H,12,14).
What are the key properties of N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide?
N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide is sourced from PubChem (CID 108913128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).