8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C20H21NO5 — CID 131932959

IUPAC8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)O1
InChIInChI=1S/C20H21NO5/c22-18(21-10-8-20(9-11-21)14-25-19(23)26-20)13-16(17-7-4-12-24-17)15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2
InChIKeyCHTOOVBBNIWMAK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.33
Rot. Bonds4

About 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 131932959) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID131932959
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)O1
InChIInChI=1S/C20H21NO5/c22-18(21-10-8-20(9-11-21)14-25-19(23)26-20)13-16(17-7-4-12-24-17)15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2
InChIKeyCHTOOVBBNIWMAK-UHFFFAOYSA-N
XLogP3.33
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 50954754
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
CID 154924466
5-[(3R)-3-(furan-2-yl)-3-phenylpropanoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95200224
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
CID 131948781
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236
2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 126445618
3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 91778220
7-[3-(furan-2-yl)-3-phenylpropanoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 56706646
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72848540

Frequently Asked Questions

What is the IUPAC name of 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 131932959) is 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(C(=O)CC(c3ccccc3)c3ccco3)CC2)O1.
What is the InChIKey of 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is CHTOOVBBNIWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(21-10-8-20(9-11-21)14-25-19(23)26-20)13-16(17-7-4-12-24-17)15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2.
What are the key properties of 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 131932959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).