(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C37H50N4O6 — CID 69411244

IUPAC(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)N4CCOCC4)cc3)cc1)CC2
InChIInChI=1S/C37H50N4O6/c1-2-3-19-41-34(43)32(26-36(45)15-5-4-6-16-36)38-35(44)37(41)17-20-39(21-18-37)27-28-7-11-30(12-8-28)47-31-13-9-29(10-14-31)33(42)40-22-24-46-25-23-40/h7-14,32,45H,2-6,15-27H2,1H3,(H,38,44)/t32-/m1/s1
InChIKeyGPQOVXZCWRJZID-JGCGQSQUSA-N
MW646.83 g/mol
LogP4.50
Rot. Bonds10

About (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 69411244) has the molecular formula C37H50N4O6 and a molecular weight of 646.83 g/mol. Its IUPAC name is (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID69411244
Molecular FormulaC37H50N4O6
Molecular Weight646.83 g/mol
Exact Mass646.37
IUPAC Name(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)N4CCOCC4)cc3)cc1)CC2
InChIInChI=1S/C37H50N4O6/c1-2-3-19-41-34(43)32(26-36(45)15-5-4-6-16-36)38-35(44)37(41)17-20-39(21-18-37)27-28-7-11-30(12-8-28)47-31-13-9-29(10-14-31)33(42)40-22-24-46-25-23-40/h7-14,32,45H,2-6,15-27H2,1H3,(H,38,44)/t32-/m1/s1
InChIKeyGPQOVXZCWRJZID-JGCGQSQUSA-N
XLogP4.50
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 69411244) is (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)[C@@H](CC2(O)CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)N4CCOCC4)cc3)cc1)CC2.
What is the InChIKey of (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GPQOVXZCWRJZID-JGCGQSQUSA-N. The full InChI is InChI=1S/C37H50N4O6/c1-2-3-19-41-34(43)32(26-36(45)15-5-4-6-16-36)38-35(44)37(41)17-20-39(21-18-37)27-28-7-11-30(12-8-28)47-31-13-9-29(10-14-31)33(42)40-22-24-46-25-23-40/h7-14,32,45H,2-6,15-27H2,1H3,(H,38,44)/t32-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 646.83 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[(1-hydroxycyclohexyl)methyl]-9-[[4-[4-(morpholine-4-carbonyl)phenoxy]phenyl]methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 69411244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).