[5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate

C20H22N2O6 — CID 1080740

IUPAC[5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate
SMILESO=C(Oc1cccc2c(OC(=O)N3CCOCC3)cccc12)N1CCOCC1
InChIInChI=1S/C20H22N2O6/c23-19(21-7-11-25-12-8-21)27-17-5-1-3-15-16(17)4-2-6-18(15)28-20(24)22-9-13-26-14-10-22/h1-6H,7-14H2
InChIKeyRDSMFLQNDFZPDD-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.50
Rot. Bonds2

About [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate

[5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate (PubChem CID 1080740) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate
PubChem CID1080740
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate
SMILESO=C(Oc1cccc2c(OC(=O)N3CCOCC3)cccc12)N1CCOCC1
InChIInChI=1S/C20H22N2O6/c23-19(21-7-11-25-12-8-21)27-17-5-1-3-15-16(17)4-2-6-18(15)28-20(24)22-9-13-26-14-10-22/h1-6H,7-14H2
InChIKeyRDSMFLQNDFZPDD-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 [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate?
The IUPAC name of [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate (CID 1080740) is [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate.
What is the SMILES notation for [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate?
The canonical SMILES for [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate is O=C(Oc1cccc2c(OC(=O)N3CCOCC3)cccc12)N1CCOCC1.
What is the InChIKey of [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate?
The InChIKey is RDSMFLQNDFZPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-19(21-7-11-25-12-8-21)27-17-5-1-3-15-16(17)4-2-6-18(15)28-20(24)22-9-13-26-14-10-22/h1-6H,7-14H2.
What are the key properties of [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate?
[5-(morpholine-4-carbonyloxy)naphthalen-1-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 [5-(morpholine-4-carbonyloxy)naphthalen-1-yl] morpholine-4-carboxylate is sourced from PubChem (CID 1080740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).