N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C17H23NO3 — CID 112520650

IUPACN-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)18-16(19)14-6-8-17(9-7-14)20-10-11-21-17/h3-5,14H,6-11H2,1-2H3,(H,18,19)
InChIKeyIFQFTORVWGYWLP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.18
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112520650) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112520650
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)18-16(19)14-6-8-17(9-7-14)20-10-11-21-17/h3-5,14H,6-11H2,1-2H3,(H,18,19)
InChIKeyIFQFTORVWGYWLP-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112525319
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
CID 99836340
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110857554
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112521730
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112520650) is N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is Cc1cccc(C)c1NC(=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is IFQFTORVWGYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)18-16(19)14-6-8-17(9-7-14)20-10-11-21-17/h3-5,14H,6-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 289.38 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-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112520650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).