N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide

C22H26N2O4 — CID 112984226

IUPACN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H26N2O4/c25-21(10-15-26-20-4-2-1-3-5-20)23-18-6-8-19(9-7-18)24-13-11-22(12-14-24)27-16-17-28-22/h1-9H,10-17H2,(H,23,25)
InChIKeyYBRJMGYIIYCFMP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.44
Rot. Bonds6

About N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide

N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide (PubChem CID 112984226) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
PubChem CID112984226
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C22H26N2O4/c25-21(10-15-26-20-4-2-1-3-5-20)23-18-6-8-19(9-7-18)24-13-11-22(12-14-24)27-16-17-28-22/h1-9H,10-17H2,(H,23,25)
InChIKeyYBRJMGYIIYCFMP-UHFFFAOYSA-N
XLogP3.44
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide (CID 112984226) is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide?
The InChIKey is YBRJMGYIIYCFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(10-15-26-20-4-2-1-3-5-20)23-18-6-8-19(9-7-18)24-13-11-22(12-14-24)27-16-17-28-22/h1-9H,10-17H2,(H,23,25).
What are the key properties of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide?
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide has a molecular weight of 382.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 112984226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).