N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H22N2O3 — CID 4597494

IUPACN-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H22N2O3/c1-12-9-13(2)11-14(10-12)17-15(19)18-5-3-16(4-6-18)20-7-8-21-16/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeyNSRKAZPTAGBKHM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds1

About N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 4597494) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID4597494
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H22N2O3/c1-12-9-13(2)11-14(10-12)17-15(19)18-5-3-16(4-6-18)20-7-8-21-16/h9-11H,3-8H2,1-2H3,(H,17,19)
InChIKeyNSRKAZPTAGBKHM-UHFFFAOYSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 4597494) is N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1cc(C)cc(NC(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is NSRKAZPTAGBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-9-13(2)11-14(10-12)17-15(19)18-5-3-16(4-6-18)20-7-8-21-16/h9-11H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4597494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).