[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate

C20H22N2O6 — CID 649992

IUPAC[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1
InChIInChI=1S/C20H22N2O6/c23-19(21-6-10-25-11-7-21)27-16-5-4-15-2-1-3-18(17(15)14-16)28-20(24)22-8-12-26-13-9-22/h1-5,14H,6-13H2
InChIKeyAFDCOPAFBSFUDD-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.50
Rot. Bonds2

About [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate

[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate (PubChem CID 649992) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
PubChem CID649992
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1
InChIInChI=1S/C20H22N2O6/c23-19(21-6-10-25-11-7-21)27-16-5-4-15-2-1-3-18(17(15)14-16)28-20(24)22-8-12-26-13-9-22/h1-5,14H,6-13H2
InChIKeyAFDCOPAFBSFUDD-UHFFFAOYSA-N
XLogP2.50
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate?
The IUPAC name of [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate (CID 649992) is [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate is O=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1.
What is the InChIKey of [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate?
The InChIKey is AFDCOPAFBSFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-19(21-6-10-25-11-7-21)27-16-5-4-15-2-1-3-18(17(15)14-16)28-20(24)22-8-12-26-13-9-22/h1-5,14H,6-13H2.
What are the key properties of [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate?
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 649992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).