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

C17H24N2O3 — CID 3789678

IUPACN-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O3/c1-13(2)14-3-5-15(6-4-14)18-16(20)19-9-7-17(8-10-19)21-11-12-22-17/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyZACBCDWCHWHREI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.18
Rot. Bonds2

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

N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 3789678) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID3789678
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O3/c1-13(2)14-3-5-15(6-4-14)18-16(20)19-9-7-17(8-10-19)21-11-12-22-17/h3-6,13H,7-12H2,1-2H3,(H,18,20)
InChIKeyZACBCDWCHWHREI-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
N-(2-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989738
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 45001311
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112994209
4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
ethyl 4-(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)benzoate
CID 3364721
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91172790

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 3789678) is N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is ZACBCDWCHWHREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)14-3-5-15(6-4-14)18-16(20)19-9-7-17(8-10-19)21-11-12-22-17/h3-6,13H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3789678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).