(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone

C20H32N2O3 — CID 131679461

IUPAC(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
SMILESCOCCN1CCC12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2
InChIInChI=1S/C20H32N2O3/c1-15-16(13-17(25-15)19(2,3)4)18(23)21-9-6-7-20(14-21)8-10-22(20)11-12-24-5/h13H,6-12,14H2,1-5H3
InChIKeyJYWDFSANAMAFSB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.21
Rot. Bonds4

About (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone

(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone (PubChem CID 131679461) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
PubChem CID131679461
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
SMILESCOCCN1CCC12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2
InChIInChI=1S/C20H32N2O3/c1-15-16(13-17(25-15)19(2,3)4)18(23)21-9-6-7-20(14-21)8-10-22(20)11-12-24-5/h13H,6-12,14H2,1-5H3
InChIKeyJYWDFSANAMAFSB-UHFFFAOYSA-N
XLogP3.21
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-2-methylfuran-3-yl)-(1-methyl-1,8-diazaspiro[3.5]nonan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155867006
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97120972
(1-fluorocyclopropyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 131684327
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone
CID 131642632
N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155868295
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850676
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100716484

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone (CID 131679461) is (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone.
What is the SMILES notation for (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The canonical SMILES for (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone is COCCN1CCC12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2.
What is the InChIKey of (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The InChIKey is JYWDFSANAMAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-16(13-17(25-15)19(2,3)4)18(23)21-9-6-7-20(14-21)8-10-22(20)11-12-24-5/h13H,6-12,14H2,1-5H3.
What are the key properties of (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone is sourced from PubChem (CID 131679461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).