(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C29H45N3O3 — CID 23577346

IUPAC(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(C)C)cc1)CC2
InChIInChI=1S/C29H45N3O3/c1-4-5-17-32-27(34)25(26(33)24-9-7-6-8-10-24)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-23(14-12-22)21(2)3/h11-14,21,24-26,33H,4-10,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1
InChIKeyFKFCWHOOZIGDSJ-CLJLJLNGSA-N
MW483.70 g/mol
LogP4.21
Rot. Bonds8

About (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 23577346) has the molecular formula C29H45N3O3 and a molecular weight of 483.70 g/mol. Its IUPAC name is (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID23577346
Molecular FormulaC29H45N3O3
Molecular Weight483.70 g/mol
Exact Mass483.35
IUPAC Name(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(C)C)cc1)CC2
InChIInChI=1S/C29H45N3O3/c1-4-5-17-32-27(34)25(26(33)24-9-7-6-8-10-24)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-23(14-12-22)21(2)3/h11-14,21,24-26,33H,4-10,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1
InChIKeyFKFCWHOOZIGDSJ-CLJLJLNGSA-N
XLogP4.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.70
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)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-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 23577346) is (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(C)C)cc1)CC2.
What is the InChIKey of (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FKFCWHOOZIGDSJ-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H45N3O3/c1-4-5-17-32-27(34)25(26(33)24-9-7-6-8-10-24)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-23(14-12-22)21(2)3/h11-14,21,24-26,33H,4-10,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 483.70 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-9-[(4-propan-2-ylphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 23577346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).