(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H28N2O2 — CID 118562451

IUPAC(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m0/s1
InChIKeyRSVBTLSIVBWMNF-IBGZPJMESA-N
MW364.49 g/mol
LogP3.52
Rot. Bonds4

About (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562451) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562451
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m0/s1
InChIKeyRSVBTLSIVBWMNF-IBGZPJMESA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562451) is (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O.
What is the InChIKey of (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RSVBTLSIVBWMNF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).