N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H22N2O3 — CID 6468981

IUPACN-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-2-13-3-5-14(6-4-13)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyNEUUEXQVLBWLLI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.62
Rot. Bonds2

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

N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 6468981) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID6468981
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-2-13-3-5-14(6-4-13)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyNEUUEXQVLBWLLI-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 6468981) is N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CCc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is NEUUEXQVLBWLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-3-5-14(6-4-13)17-15(19)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 6468981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).