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

C17H24N2O4 — CID 98895269

IUPAC(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@]2(CCCN(C(=O)c3ccoc3)CC2)C1=O
InChIInChI=1S/C17H24N2O4/c1-22-12-10-19-9-6-17(16(19)21)4-2-7-18(8-5-17)15(20)14-3-11-23-13-14/h3,11,13H,2,4-10,12H2,1H3/t17-/m1/s1
InChIKeyXQBXBIJWEWUSOY-QGZVFWFLSA-N
MW320.39 g/mol
LogP1.77
Rot. Bonds4

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

(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98895269) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98895269
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCOCCN1CC[C@]2(CCCN(C(=O)c3ccoc3)CC2)C1=O
InChIInChI=1S/C17H24N2O4/c1-22-12-10-19-9-6-17(16(19)21)4-2-7-18(8-5-17)15(20)14-3-11-23-13-14/h3,11,13H,2,4-10,12H2,1H3/t17-/m1/s1
InChIKeyXQBXBIJWEWUSOY-QGZVFWFLSA-N
XLogP1.77
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895274
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
(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
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131691720
2-(2-methoxyethyl)-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449747
2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98895269) is (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one is COCCN1CC[C@]2(CCCN(C(=O)c3ccoc3)CC2)C1=O.
What is the InChIKey of (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is XQBXBIJWEWUSOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-12-10-19-9-6-17(16(19)21)4-2-7-18(8-5-17)15(20)14-3-11-23-13-14/h3,11,13H,2,4-10,12H2,1H3/t17-/m1/s1.
What are the key properties of (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 320.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98895269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).