2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate

C18H31N3O4 — CID 155449777

IUPAC2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCC(C)N1CCC2(CC1)CC(C(=O)OCC(C)N1CCOCC1)=NO2
InChIInChI=1S/C18H31N3O4/c1-14(2)20-6-4-18(5-7-20)12-16(19-25-18)17(22)24-13-15(3)21-8-10-23-11-9-21/h14-15H,4-13H2,1-3H3
InChIKeyZZMVMISHKFPAKB-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.27
Rot. Bonds5

About 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate

2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 155449777) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID155449777
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCC(C)N1CCC2(CC1)CC(C(=O)OCC(C)N1CCOCC1)=NO2
InChIInChI=1S/C18H31N3O4/c1-14(2)20-6-4-18(5-7-20)12-16(19-25-18)17(22)24-13-15(3)21-8-10-23-11-9-21/h14-15H,4-13H2,1-3H3
InChIKeyZZMVMISHKFPAKB-UHFFFAOYSA-N
XLogP1.27
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate (CID 155449777) is 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate is CC(C)N1CCC2(CC1)CC(C(=O)OCC(C)N1CCOCC1)=NO2.
What is the InChIKey of 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is ZZMVMISHKFPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-14(2)20-6-4-18(5-7-20)12-16(19-25-18)17(22)24-13-15(3)21-8-10-23-11-9-21/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate?
2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropyl 8-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 155449777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).