(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one

C18H28N2O3 — CID 97362530

IUPAC(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H28N2O3/c1-3-16-18(8-5-17(21)20(18)10-12-22-2)7-4-9-19(16)13-15-6-11-23-14-15/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3/t16-,18-/m0/s1
InChIKeySPEJHQCGCZPXKV-WMZOPIPTSA-N
MW320.43 g/mol
LogP2.66
Rot. Bonds6

About (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97362530) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97362530
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2CCOC
InChIInChI=1S/C18H28N2O3/c1-3-16-18(8-5-17(21)20(18)10-12-22-2)7-4-9-19(16)13-15-6-11-23-14-15/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3/t16-,18-/m0/s1
InChIKeySPEJHQCGCZPXKV-WMZOPIPTSA-N
XLogP2.66
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97362530) is (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2CCOC.
What is the InChIKey of (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is SPEJHQCGCZPXKV-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-16-18(8-5-17(21)20(18)10-12-22-2)7-4-9-19(16)13-15-6-11-23-14-15/h6,11,14,16H,3-5,7-10,12-13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 320.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97362530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).