3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H27N3O4 — CID 70726361

IUPAC3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cccc(N4CCOCC4)c3)CC2)OC1=O
InChIInChI=1S/C20H27N3O4/c1-2-21-15-20(27-19(21)25)6-8-23(9-7-20)18(24)16-4-3-5-17(14-16)22-10-12-26-13-11-22/h3-5,14H,2,6-13,15H2,1H3
InChIKeyDRNWMCZIDNDUQB-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.97
Rot. Bonds3

About 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70726361) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70726361
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cccc(N4CCOCC4)c3)CC2)OC1=O
InChIInChI=1S/C20H27N3O4/c1-2-21-15-20(27-19(21)25)6-8-23(9-7-20)18(24)16-4-3-5-17(14-16)22-10-12-26-13-11-22/h3-5,14H,2,6-13,15H2,1H3
InChIKeyDRNWMCZIDNDUQB-UHFFFAOYSA-N
XLogP1.97
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70726361) is 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)c3cccc(N4CCOCC4)c3)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DRNWMCZIDNDUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-21-15-20(27-19(21)25)6-8-23(9-7-20)18(24)16-4-3-5-17(14-16)22-10-12-26-13-11-22/h3-5,14H,2,6-13,15H2,1H3.
What are the key properties of 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 373.45 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(3-morpholin-4-ylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70726361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).