(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C19H33N3O2 — CID 23577440

IUPAC(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C19H33N3O2/c1-2-3-13-22-17(23)16(14-15-7-5-4-6-8-15)21-18(24)19(22)9-11-20-12-10-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyNCGCEFVGXJNEQV-MRXNPFEDSA-N
MW335.49 g/mol
LogP2.21
Rot. Bonds5

About (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 23577440) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID23577440
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C19H33N3O2/c1-2-3-13-22-17(23)16(14-15-7-5-4-6-8-15)21-18(24)19(22)9-11-20-12-10-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyNCGCEFVGXJNEQV-MRXNPFEDSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 23577440) is (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCNCC2.
What is the InChIKey of (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is NCGCEFVGXJNEQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-3-13-22-17(23)16(14-15-7-5-4-6-8-15)21-18(24)19(22)9-11-20-12-10-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 335.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 23577440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).