N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H21FN2O3 — CID 30886421

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C16H21FN2O3/c1-12-2-3-13(10-14(12)17)11-18-15(20)19-6-4-16(5-7-19)21-8-9-22-16/h2-3,10H,4-9,11H2,1H3,(H,18,20)
InChIKeyUMOKKKZPYQDHJQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.18
Rot. Bonds2

About N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 30886421) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID30886421
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C16H21FN2O3/c1-12-2-3-13(10-14(12)17)11-18-15(20)19-6-4-16(5-7-19)21-8-9-22-16/h2-3,10H,4-9,11H2,1H3,(H,18,20)
InChIKeyUMOKKKZPYQDHJQ-UHFFFAOYSA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 30886421) is N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is UMOKKKZPYQDHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-12-2-3-13(10-14(12)17)11-18-15(20)19-6-4-16(5-7-19)21-8-9-22-16/h2-3,10H,4-9,11H2,1H3,(H,18,20).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 30886421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).