9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C28H28N2O3 — CID 132772541

IUPAC9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C28H28N2O3/c31-26(25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)29-19-10-17-28(18-20-29)21-30(27(32)33-28)24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2
InChIKeyVWMBFTVCFXLZLW-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.23
Rot. Bonds4

About 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 132772541) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID132772541
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C28H28N2O3/c31-26(25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)29-19-10-17-28(18-20-29)21-30(27(32)33-28)24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2
InChIKeyVWMBFTVCFXLZLW-UHFFFAOYSA-N
XLogP5.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
(5R)-3-benzyl-7-(2,2-diphenylacetyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125003734
3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
CID 152760313
(5S)-9-(4-benzyloxane-4-carbonyl)-3-(3-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124997373
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
2-(5-oxo-4-oxa-6-azaspiro[2.4]heptan-6-yl)benzoic acid
CID 105492180
(5R)-3-(4-chlorophenyl)-9-[2-(imidazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129457548
(6S)-10-(2-anilinobenzoyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454295
(5S)-7-[1-(3-fluorophenyl)cyclopentanecarbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125016171
10-(1,4-dimethylpiperidine-4-carbonyl)-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986368

Frequently Asked Questions

What is the IUPAC name of 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 132772541) is 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C(C(c1ccccc1)c1ccccc1)N1CCCC2(CC1)CN(c1ccccc1)C(=O)O2.
What is the InChIKey of 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is VWMBFTVCFXLZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-26(25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)29-19-10-17-28(18-20-29)21-30(27(32)33-28)24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2.
What are the key properties of 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 440.54 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-diphenylacetyl)-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 132772541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).