N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C18H26N2O3 — CID 3790965

IUPACN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyCRPCVRHETYSVRS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.35
Rot. Bonds1

About N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 3790965) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID3790965
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyCRPCVRHETYSVRS-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
N-(2-tert-butylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978517
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
N-(3-chloro-2-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 17388082
N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 172894919
N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108965186
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 3790965) is N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CRPCVRHETYSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).