N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C17H24N2O3 — CID 84593302

IUPACN-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCCOc1cc(NC(=O)N2CCOC3(CCC3)C2)ccc1C
InChIInChI=1S/C17H24N2O3/c1-3-21-15-11-14(6-5-13(15)2)18-16(20)19-9-10-22-17(12-19)7-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyAREIJDDADWQZCC-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.18
Rot. Bonds3

About N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 84593302) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID84593302
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCCOc1cc(NC(=O)N2CCOC3(CCC3)C2)ccc1C
InChIInChI=1S/C17H24N2O3/c1-3-21-15-11-14(6-5-13(15)2)18-16(20)19-9-10-22-17(12-19)7-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyAREIJDDADWQZCC-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 84593302) is N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is CCOc1cc(NC(=O)N2CCOC3(CCC3)C2)ccc1C.
What is the InChIKey of N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is AREIJDDADWQZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-21-15-11-14(6-5-13(15)2)18-16(20)19-9-10-22-17(12-19)7-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methylphenyl)-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 84593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).