2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N2O3 — CID 70718234

IUPAC2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CC[C@H](O)c3ccccc3)CC2)CN1CCO
InChIInChI=1S/C20H30N2O3/c23-15-14-22-16-20(8-6-19(22)25)9-12-21(13-10-20)11-7-18(24)17-4-2-1-3-5-17/h1-5,18,23-24H,6-16H2/t18-/m0/s1
InChIKeyAITBKZGCBNLWGR-SFHVURJKSA-N
MW346.47 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70718234) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70718234
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(CC[C@H](O)c3ccccc3)CC2)CN1CCO
InChIInChI=1S/C20H30N2O3/c23-15-14-22-16-20(8-6-19(22)25)9-12-21(13-10-20)11-7-18(24)17-4-2-1-3-5-17/h1-5,18,23-24H,6-16H2/t18-/m0/s1
InChIKeyAITBKZGCBNLWGR-SFHVURJKSA-N
XLogP1.81
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70718234) is 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(CC[C@H](O)c3ccccc3)CC2)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AITBKZGCBNLWGR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-15-14-22-16-20(8-6-19(22)25)9-12-21(13-10-20)11-7-18(24)17-4-2-1-3-5-17/h1-5,18,23-24H,6-16H2/t18-/m0/s1.
What are the key properties of 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(3S)-3-hydroxy-3-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70718234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).