7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane

C33H49NO2 — CID 86747100

IUPAC7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCCCCCCCC1COC2(CC(c3ccccc3)NC(c3ccccc3)C2)O1
InChIInChI=1S/C33H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-30-27-35-33(36-30)25-31(28-20-15-13-16-21-28)34-32(26-33)29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3
InChIKeyLTKZXWKENHMNKX-UHFFFAOYSA-N
MW491.76 g/mol
LogP9.06
Rot. Bonds15

About 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane

7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 86747100) has the molecular formula C33H49NO2 and a molecular weight of 491.76 g/mol. Its IUPAC name is 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID86747100
Molecular FormulaC33H49NO2
Molecular Weight491.76 g/mol
Exact Mass491.38
IUPAC Name7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCCCCCCCCCCCC1COC2(CC(c3ccccc3)NC(c3ccccc3)C2)O1
InChIInChI=1S/C33H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-30-27-35-33(36-30)25-31(28-20-15-13-16-21-28)34-32(26-33)29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3
InChIKeyLTKZXWKENHMNKX-UHFFFAOYSA-N
XLogP9.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.76
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
2-hexyl-6-phenylpiperidine
CID 102584089
3-decyl-7,7-diethyl-9,9-dimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58982381
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
N,N-bis[4-(2,2-dihexyl-1,3-dioxolan-4-yl)butyl]hexan-1-amine
CID 169169928
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-octyl-2,3,3-triphenyl-1,2-oxazolidine
CID 15851551
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
(4R,6R)-2,2-dimethyl-4-(2-phenylethyl)-6-undecyl-1,3-dioxane
CID 102467906

Frequently Asked Questions

What is the IUPAC name of 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 86747100) is 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane is CCCCCCCCCCCCCCC1COC2(CC(c3ccccc3)NC(c3ccccc3)C2)O1.
What is the InChIKey of 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LTKZXWKENHMNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-30-27-35-33(36-30)25-31(28-20-15-13-16-21-28)34-32(26-33)29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3.
What are the key properties of 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane?
7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 491.76 g/mol, XLogP of 9.06, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 86747100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).