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

C25H32N2O2 — CID 118562375

IUPAC4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3
InChIKeyTZGRGSUVKBRDCV-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.15
Rot. Bonds5

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

4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562375) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562375
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O
InChIInChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3
InChIKeyTZGRGSUVKBRDCV-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(Methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide
CID 124716
Ocfentanil
CID 60575
Methoxyacetylfentanyl
CID 968688
Tetrahydrofuranyl fentanyl
CID 137332293
[(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate bromide
CID 10300660
N-(2-Fluoro-phenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-acetamide
CID 13653729
2-Ethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562510
4-(2-Chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
Ortho-methyl methoxyacetyl fentanyl
CID 137700051
2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-acetamide
CID 13653749
1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-phenylpiperidine-4-carboxamide
CID 3013673
2-Methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 102004349

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562375) is 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O.
What is the InChIKey of 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is TZGRGSUVKBRDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3.
What are the key properties of 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).