8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H32N2O3 — CID 19814265

IUPAC8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O
InChIInChI=1S/C26H32N2O3/c1-20(2)28-24(29)31-26(25(28,3)30)15-18-27(19-16-26)17-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,20,30H,15-19H2,1-3H3
InChIKeyRGALRQVTNSTTNI-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.52
Rot. Bonds5

About 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814265) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814265
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O
InChIInChI=1S/C26H32N2O3/c1-20(2)28-24(29)31-26(25(28,3)30)15-18-27(19-16-26)17-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,20,30H,15-19H2,1-3H3
InChIKeyRGALRQVTNSTTNI-UHFFFAOYSA-N
XLogP4.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,3-diphenylprop-2-enyl)-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887476
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19887487
1-(3,3-diphenylprop-2-enyl)-4-phenylpiperidin-4-ol
CID 21127291
8-[4,4-bis(4-fluorophenyl)but-3-enyl]-4-hydroxy-4-methyl-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887462
1-(3,3-diphenylprop-2-enyl)-4-phenylpiperidin-4-ol;oxalate;propanoate
CID 21127290
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
8-benzyl-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 67901829
8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19814314
8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814239
phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 19814376
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814265) is 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O.
What is the InChIKey of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RGALRQVTNSTTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-20(2)28-24(29)31-26(25(28,3)30)15-18-27(19-16-26)17-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,20,30H,15-19H2,1-3H3.
What are the key properties of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 420.55 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).