N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

C18H25FN2O4 — CID 126783733

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESCOc1cccc(F)c1C(C)NC(=O)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H25FN2O4/c1-13(16-14(19)4-3-5-15(16)23-2)20-17(22)21-8-11-25-18(12-21)6-9-24-10-7-18/h3-5,13H,6-12H2,1-2H3,(H,20,22)
InChIKeyANPSGSGYZORNAO-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 126783733) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID126783733
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESCOc1cccc(F)c1C(C)NC(=O)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H25FN2O4/c1-13(16-14(19)4-3-5-15(16)23-2)20-17(22)21-8-11-25-18(12-21)6-9-24-10-7-18/h3-5,13H,6-12H2,1-2H3,(H,20,22)
InChIKeyANPSGSGYZORNAO-UHFFFAOYSA-N
XLogP2.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (CID 126783733) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is COc1cccc(F)c1C(C)NC(=O)N1CCOC2(CCOCC2)C1.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is ANPSGSGYZORNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-13(16-14(19)4-3-5-15(16)23-2)20-17(22)21-8-11-25-18(12-21)6-9-24-10-7-18/h3-5,13H,6-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 126783733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).