N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H25FN2O3 — CID 91924978

IUPACN-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCc2ccc(F)cc2)C2(CCOCC2)C1
InChIInChI=1S/C19H25FN2O3/c1-2-17(23)22-12-16(19(13-22)7-9-25-10-8-19)18(24)21-11-14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,24)
InChIKeyAHVKQAVKONLEBD-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924978) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924978
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCC(=O)N1CC(C(=O)NCc2ccc(F)cc2)C2(CCOCC2)C1
InChIInChI=1S/C19H25FN2O3/c1-2-17(23)22-12-16(19(13-22)7-9-25-10-8-19)18(24)21-11-14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,24)
InChIKeyAHVKQAVKONLEBD-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924978) is N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCC(=O)N1CC(C(=O)NCc2ccc(F)cc2)C2(CCOCC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is AHVKQAVKONLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-17(23)22-12-16(19(13-22)7-9-25-10-8-19)18(24)21-11-14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propanoyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).