2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

C21H24N2O3 — CID 70773830

IUPAC2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)cc2)o1
InChIInChI=1S/C21H24N2O3/c1-15-3-8-18(26-15)16-4-6-17(7-5-16)20(25)23-11-9-21(10-12-23)13-19(24)22(2)14-21/h3-8H,9-14H2,1-2H3
InChIKeyKLMURKGTFSDEFS-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.34
Rot. Bonds2

About 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70773830) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70773830
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)cc2)o1
InChIInChI=1S/C21H24N2O3/c1-15-3-8-18(26-15)16-4-6-17(7-5-16)20(25)23-11-9-21(10-12-23)13-19(24)22(2)14-21/h3-8H,9-14H2,1-2H3
InChIKeyKLMURKGTFSDEFS-UHFFFAOYSA-N
XLogP3.34
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 131916713
methyl 4-[5-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-yl]benzoate
CID 70777952
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
CID 70788911
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125158207
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 172673874
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70773830) is 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)cc2)o1.
What is the InChIKey of 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KLMURKGTFSDEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-3-8-18(26-15)16-4-6-17(7-5-16)20(25)23-11-9-21(10-12-23)13-19(24)22(2)14-21/h3-8H,9-14H2,1-2H3.
What are the key properties of 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70773830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).