(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H29FN2O2 — CID 118561086

IUPAC(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC[C@H]1OC2(CCN(C(F)Cc3ccccc3)CC2)CN(CC)C1=O
InChIInChI=1S/C20H29FN2O2/c1-3-17-19(24)22(4-2)15-20(25-17)10-12-23(13-11-20)18(21)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3/t17-,18?/m1/s1
InChIKeyWERDFPLBEWFFML-QNSVNVJESA-N
MW348.46 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118561086) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118561086
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC[C@H]1OC2(CCN(C(F)Cc3ccccc3)CC2)CN(CC)C1=O
InChIInChI=1S/C20H29FN2O2/c1-3-17-19(24)22(4-2)15-20(25-17)10-12-23(13-11-20)18(21)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3/t17-,18?/m1/s1
InChIKeyWERDFPLBEWFFML-QNSVNVJESA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118561086) is (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC[C@H]1OC2(CCN(C(F)Cc3ccccc3)CC2)CN(CC)C1=O.
What is the InChIKey of (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WERDFPLBEWFFML-QNSVNVJESA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-3-17-19(24)22(4-2)15-20(25-17)10-12-23(13-11-20)18(21)14-16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3/t17-,18?/m1/s1.
What are the key properties of (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diethyl-9-(1-fluoro-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118561086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).