2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C31H44N2O2 — CID 150946909

IUPAC2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H44N2O2/c1-6-7-8-15-20-33-27(34)30(23-28(2,3)32-29(4,5)24-30)35-31(33,21-25-16-11-9-12-17-25)22-26-18-13-10-14-19-26/h9-14,16-19,32H,6-8,15,20-24H2,1-5H3
InChIKeyLJGHOJHBMNOTKS-UHFFFAOYSA-N
MW476.71 g/mol
LogP6.29
Rot. Bonds9

About 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 150946909) has the molecular formula C31H44N2O2 and a molecular weight of 476.71 g/mol. Its IUPAC name is 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID150946909
Molecular FormulaC31H44N2O2
Molecular Weight476.71 g/mol
Exact Mass476.34
IUPAC Name2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCCCCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H44N2O2/c1-6-7-8-15-20-33-27(34)30(23-28(2,3)32-29(4,5)24-30)35-31(33,21-25-16-11-9-12-17-25)22-26-18-13-10-14-19-26/h9-14,16-19,32H,6-8,15,20-24H2,1-5H3
InChIKeyLJGHOJHBMNOTKS-UHFFFAOYSA-N
XLogP6.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 151693263
5,5-dibenzyl-1-heptyl-1,3-diazinane-2,4,6-trione
CID 11304322
7,7,9,9-tetramethyl-3-octyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 11267711
tetradecan-3-yl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate
CID 67436620
3-benzyl-3-nonylazetidine
CID 79451822
tetradecyl 2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate
CID 68565645
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64887461
3-benzyl-3-butylazetidine
CID 79451820
(3R)-3-benzyl-3-hexyl-1-phenylazetidin-2-one
CID 166439497
7,7,9,9-tetramethyl-2-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 57138383
(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
CID 171057688

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 150946909) is 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CCCCCCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is LJGHOJHBMNOTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2O2/c1-6-7-8-15-20-33-27(34)30(23-28(2,3)32-29(4,5)24-30)35-31(33,21-25-16-11-9-12-17-25)22-26-18-13-10-14-19-26/h9-14,16-19,32H,6-8,15,20-24H2,1-5H3.
What are the key properties of 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 476.71 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-3-hexyl-7,7,9,9-tetramethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 150946909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).