(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C23H34N2O2 — CID 171148200

IUPAC(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCC=C(C)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccccc3CC)C2)C1
InChIInChI=1S/C23H34N2O2/c1-4-18(3)15-24-14-11-21(26)23(16-24)12-8-13-25(17-23)22(27)20-10-7-6-9-19(20)5-2/h4,6-7,9-10,21,26H,5,8,11-17H2,1-3H3/t21-,23-/m1/s1
InChIKeyVSHRVCXEZWZJIY-FYYLOGMGSA-N
MW370.54 g/mol
LogP3.50
Rot. Bonds4

About (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 171148200) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID171148200
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCC=C(C)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccccc3CC)C2)C1
InChIInChI=1S/C23H34N2O2/c1-4-18(3)15-24-14-11-21(26)23(16-24)12-8-13-25(17-23)22(27)20-10-7-6-9-19(20)5-2/h4,6-7,9-10,21,26H,5,8,11-17H2,1-3H3/t21-,23-/m1/s1
InChIKeyVSHRVCXEZWZJIY-FYYLOGMGSA-N
XLogP3.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 171148200) is (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone is CC=C(C)CN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccccc3CC)C2)C1.
What is the InChIKey of (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is VSHRVCXEZWZJIY-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-18(3)15-24-14-11-21(26)23(16-24)12-8-13-25(17-23)22(27)20-10-7-6-9-19(20)5-2/h4,6-7,9-10,21,26H,5,8,11-17H2,1-3H3/t21-,23-/m1/s1.
What are the key properties of (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 370.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[(6R,11R)-11-hydroxy-8-(2-methylbut-2-enyl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 171148200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).