4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C19H25FN2O3 — CID 24712537

IUPAC4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H25FN2O3/c1-2-11-21-17(23)16-13-25-19(9-4-3-5-10-19)22(16)18(24)14-7-6-8-15(20)12-14/h6-8,12,16H,2-5,9-11,13H2,1H3,(H,21,23)
InChIKeyLEAUBRLMFBMJLH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.85
Rot. Bonds4

About 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 24712537) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID24712537
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C19H25FN2O3/c1-2-11-21-17(23)16-13-25-19(9-4-3-5-10-19)22(16)18(24)14-7-6-8-15(20)12-14/h6-8,12,16H,2-5,9-11,13H2,1H3,(H,21,23)
InChIKeyLEAUBRLMFBMJLH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 24712537) is 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCNC(=O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is LEAUBRLMFBMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-11-21-17(23)16-13-25-19(9-4-3-5-10-19)22(16)18(24)14-7-6-8-15(20)12-14/h6-8,12,16H,2-5,9-11,13H2,1H3,(H,21,23).
What are the key properties of 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 24712537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).