8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C19H21NO4 — CID 74232415

IUPAC8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2cccc(CN3CCC4(CC3)COC(=O)O4)c2)o1
InChIInChI=1S/C19H21NO4/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-20-9-7-19(8-10-20)13-22-18(21)24-19/h2-6,11H,7-10,12-13H2,1H3
InChIKeyNVVQMXBKPQQMPY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.76
Rot. Bonds3

About 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 74232415) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID74232415
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2cccc(CN3CCC4(CC3)COC(=O)O4)c2)o1
InChIInChI=1S/C19H21NO4/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-20-9-7-19(8-10-20)13-22-18(21)24-19/h2-6,11H,7-10,12-13H2,1H3
InChIKeyNVVQMXBKPQQMPY-UHFFFAOYSA-N
XLogP3.76
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 74232415) is 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is Cc1ccc(-c2cccc(CN3CCC4(CC3)COC(=O)O4)c2)o1.
What is the InChIKey of 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is NVVQMXBKPQQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-20-9-7-19(8-10-20)13-22-18(21)24-19/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74232415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).