(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C18H26N2O4 — CID 98895274

IUPAC(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@@]2(CCCN(C(=O)c3ccoc3C)CC2)C1=O
InChIInChI=1S/C18H26N2O4/c1-14-15(4-12-24-14)16(21)19-8-3-5-18(6-9-19)7-10-20(17(18)22)11-13-23-2/h4,12H,3,5-11,13H2,1-2H3/t18-/m0/s1
InChIKeyBSTKFEBEIQOOJQ-SFHVURJKSA-N
MW334.42 g/mol
LogP2.08
Rot. Bonds4

About (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98895274) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98895274
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@@]2(CCCN(C(=O)c3ccoc3C)CC2)C1=O
InChIInChI=1S/C18H26N2O4/c1-14-15(4-12-24-14)16(21)19-8-3-5-18(6-9-19)7-10-20(17(18)22)11-13-23-2/h4,12H,3,5-11,13H2,1-2H3/t18-/m0/s1
InChIKeyBSTKFEBEIQOOJQ-SFHVURJKSA-N
XLogP2.08
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370220
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131691720
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
9-(2,5-difluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131690837
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98895274) is (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is COCCN1CC[C@@]2(CCCN(C(=O)c3ccoc3C)CC2)C1=O.
What is the InChIKey of (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is BSTKFEBEIQOOJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14-15(4-12-24-14)16(21)19-8-3-5-18(6-9-19)7-10-20(17(18)22)11-13-23-2/h4,12H,3,5-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 334.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98895274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).