4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one

C21H24N2O2 — CID 131670186

IUPAC4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CN(CCc1ccccc1)CCO2
InChIInChI=1S/C21H24N2O2/c24-20-21(19(15-22-20)18-9-5-2-6-10-18)16-23(13-14-25-21)12-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,24)
InChIKeyBTYRMUMXDRSQDW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.21
Rot. Bonds4

About 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one

4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131670186) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131670186
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CN(CCc1ccccc1)CCO2
InChIInChI=1S/C21H24N2O2/c24-20-21(19(15-22-20)18-9-5-2-6-10-18)16-23(13-14-25-21)12-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,24)
InChIKeyBTYRMUMXDRSQDW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
CID 7327809
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
13-phenyl-7-(2-phenylethyl)-4-oxa-7,13-diazaspiro[2.11]tetradecane
CID 145297728
1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
CID 71377991

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one (CID 131670186) is 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CN(CCc1ccccc1)CCO2.
What is the InChIKey of 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is BTYRMUMXDRSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-21(19(15-22-20)18-9-5-2-6-10-18)16-23(13-14-25-21)12-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,24).
What are the key properties of 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one?
4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-(2-phenylethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131670186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).