N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

C17H23FN2O3 — CID 99821838

IUPACN-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCc1cc(F)cc(NC(=O)N2CCOCC3(CCOCC3)C2)c1
InChIInChI=1S/C17H23FN2O3/c1-13-8-14(18)10-15(9-13)19-16(21)20-4-7-23-12-17(11-20)2-5-22-6-3-17/h8-10H,2-7,11-12H2,1H3,(H,19,21)
InChIKeyZHFVFKLXFNHELZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.80
Rot. Bonds1

About N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (PubChem CID 99821838) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
PubChem CID99821838
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCc1cc(F)cc(NC(=O)N2CCOCC3(CCOCC3)C2)c1
InChIInChI=1S/C17H23FN2O3/c1-13-8-14(18)10-15(9-13)19-16(21)20-4-7-23-12-17(11-20)2-5-22-6-3-17/h8-10H,2-7,11-12H2,1H3,(H,19,21)
InChIKeyZHFVFKLXFNHELZ-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (CID 99821838) is N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is Cc1cc(F)cc(NC(=O)N2CCOCC3(CCOCC3)C2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is ZHFVFKLXFNHELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-13-8-14(18)10-15(9-13)19-16(21)20-4-7-23-12-17(11-20)2-5-22-6-3-17/h8-10H,2-7,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 99821838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).