2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H26N2O3 — CID 72861143

IUPAC2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)N(C)C4)CC3)c2)o1
InChIInChI=1S/C22H26N2O3/c1-16-6-7-19(27-16)17-4-3-5-18(14-17)21(26)24-12-10-22(11-13-24)9-8-20(25)23(2)15-22/h3-7,14H,8-13,15H2,1-2H3
InChIKeyWWTZHLWXHGGQLT-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.73
Rot. Bonds2

About 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72861143) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72861143
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)N(C)C4)CC3)c2)o1
InChIInChI=1S/C22H26N2O3/c1-16-6-7-19(27-16)17-4-3-5-18(14-17)21(26)24-12-10-22(11-13-24)9-8-20(25)23(2)15-22/h3-7,14H,8-13,15H2,1-2H3
InChIKeyWWTZHLWXHGGQLT-UHFFFAOYSA-N
XLogP3.73
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 131916713
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 56714078
9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 121499610
2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
CID 121354882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72861143) is 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)N(C)C4)CC3)c2)o1.
What is the InChIKey of 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WWTZHLWXHGGQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-6-7-19(27-16)17-4-3-5-18(14-17)21(26)24-12-10-22(11-13-24)9-8-20(25)23(2)15-22/h3-7,14H,8-13,15H2,1-2H3.
What are the key properties of 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.46 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).