10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one

C20H35N3O2 — CID 71865109

IUPAC10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one
SMILESCC(C)CN1C(=O)C2(CCCC2)NC12CCN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C20H35N3O2/c1-15(2)14-23-17(25)19(8-6-7-9-19)21-20(23)10-12-22(13-11-20)16(24)18(3,4)5/h15,21H,6-14H2,1-5H3
InChIKeySMXDAIWPPBVXPU-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.75
Rot. Bonds2

About 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one

10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one (PubChem CID 71865109) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one.

Molecular Properties

Compound Name10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one
PubChem CID71865109
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one
SMILESCC(C)CN1C(=O)C2(CCCC2)NC12CCN(C(=O)C(C)(C)C)CC2
InChIInChI=1S/C20H35N3O2/c1-15(2)14-23-17(25)19(8-6-7-9-19)21-20(23)10-12-22(13-11-20)16(24)18(3,4)5/h15,21H,6-14H2,1-5H3
InChIKeySMXDAIWPPBVXPU-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one with MolForge

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Related Compounds

14-(2-methylpropyl)-7,14-diazadispiro[4.2.48.25]tetradecane-6,13-dione
CID 64886855
15-(2-methylpropyl)-7,15-diazadispiro[4.2.58.25]pentadecane-6,14-dione
CID 64884969
methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
CID 151378507
8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27397403
4-(2-methylpropyl)-3-oxo-N-propan-2-yl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 42679192
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108534968
2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370175
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
CID 126750228
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one?
The IUPAC name of 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one (CID 71865109) is 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one.
What is the SMILES notation for 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one?
The canonical SMILES for 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one is CC(C)CN1C(=O)C2(CCCC2)NC12CCN(C(=O)C(C)(C)C)CC2.
What is the InChIKey of 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one?
The InChIKey is SMXDAIWPPBVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-15(2)14-23-17(25)19(8-6-7-9-19)21-20(23)10-12-22(13-11-20)16(24)18(3,4)5/h15,21H,6-14H2,1-5H3.
What are the key properties of 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one?
10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one has a molecular weight of 349.52 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethylpropanoyl)-13-(2-methylpropyl)-6,10,13-triazadispiro[4.1.57.25]tetradecan-14-one is sourced from PubChem (CID 71865109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).