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

C17H23NO3 — CID 112524042

IUPACN-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-3-5-15(6-4-13)18-16(19)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,2,7-12H2,1H3,(H,18,19)
InChIKeyURUFLDGFHMYQMK-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.12
Rot. Bonds3

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

N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112524042) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112524042
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-3-5-15(6-4-13)18-16(19)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,2,7-12H2,1H3,(H,18,19)
InChIKeyURUFLDGFHMYQMK-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523463
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide
CID 172895134
3-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]propanoic acid
CID 99819377
N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 167013292
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112524042) is N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is CCc1ccc(NC(=O)C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is URUFLDGFHMYQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-3-5-15(6-4-13)18-16(19)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,2,7-12H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.12, 3 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-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112524042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).